PubChemLite - Fmoc-n-(4-boc-aminobutyl)-gly-oh (C26H32N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)NCCCCN(CC(=O)O)C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C26H32N2O6/c1-26(2,3)34-24(31)27-14-8-9-15-28(16-23(29)30)25(32)33-17-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h4-7,10-13,22H,8-9,14-17H2,1-3H3,(H,27,31)(H,29,30)

InChIKey

MNAXPVXIHALBEF-UHFFFAOYSA-N

Compound name

2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]acetic 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]+	469.23332	214.8
[M+Na]+	491.21526	216.3
[M-H]-	467.21876	218.7
[M+NH4]+	486.25986	225.6
[M+K]+	507.18920	215.0
[M+H-H2O]+	451.22330	207.1
[M+HCOO]-	513.22424	231.8
[M+CH3COO]-	527.23989	240.2
[M+Na-2H]-	489.20071	214.9
[M]+	468.22549	221.2
[M]-	468.22659	221.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.23332

214.8

[M+Na]+

491.21526

216.3

[M-H]-

467.21876

218.7

[M+NH4]+

486.25986

225.6

[M+K]+

507.18920

215.0

[M+H-H2O]+

451.22330

207.1

[M+HCOO]-

513.22424

231.8

[M+CH3COO]-

527.23989

240.2

[M+Na-2H]-

489.20071

214.9

[M]+

468.22549

221.2

[M]-

468.22659

221.2

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

Fmoc-n-(4-boc-aminobutyl)-gly-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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