PubChemLite - Fmoc-lys(ivdde)-oh (C34H42N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)CC(=NCCCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4=C(CC(CC4=O)(C)C)O

InChI

InChI=1S/C34H42N2O6/c1-21(2)17-28(31-29(37)18-34(3,4)19-30(31)38)35-16-10-9-15-27(32(39)40)36-33(41)42-20-26-24-13-7-5-11-22(24)23-12-6-8-14-25(23)26/h5-8,11-14,21,26-27,37H,9-10,15-20H2,1-4H3,(H,36,41)(H,39,40)/t27-/m0/s1

InChIKey

LHJJUCZESVFWSO-MHZLTWQESA-N

Compound name

(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-methylbutylidene]amino]hexanoic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	575.31154	242.1
[M+Na]+	597.29348	241.6
[M-H]-	573.29698	246.7
[M+NH4]+	592.33808	249.2
[M+K]+	613.26742	238.5
[M+H-H2O]+	557.30152	233.7
[M+HCOO]-	619.30246	253.6
[M+CH3COO]-	633.31811	262.8
[M+Na-2H]-	595.27893	235.6
[M]+	574.30371	244.7
[M]-	574.30481	244.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.31154

242.1

[M+Na]+

597.29348

241.6

[M-H]-

573.29698

246.7

[M+NH4]+

592.33808

249.2

[M+K]+

613.26742

238.5

[M+H-H2O]+

557.30152

233.7

[M+HCOO]-

619.30246

253.6

[M+CH3COO]-

633.31811

262.8

[M+Na-2H]-

595.27893

235.6

[M]+

574.30371

244.7

[M]-

574.30481

244.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Fmoc-lys(ivdde)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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