PubChemLite - 2624138-05-0 (C27H30N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1C2CCC1(CN(C2)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

InChI=1S/C27H30N2O6/c1-26(2,3)35-25(33)29-17-12-13-27(29,23(30)31)16-28(14-17)24(32)34-15-22-20-10-6-4-8-18(20)19-9-5-7-11-21(19)22/h4-11,17,22H,12-16H2,1-3H3,(H,30,31)

InChIKey

MPLVDTQSHDDCDC-UHFFFAOYSA-N

Compound name

3-(9H-fluoren-9-ylmethoxycarbonyl)-8-[(2-methylpropan-2-yl)oxycarbonyl]-3,8-diazabicyclo[3.2.1]octane-1-carboxylic 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]+	479.21768	216.6
[M+Na]+	501.19962	220.3
[M-H]-	477.20312	219.8
[M+NH4]+	496.24422	229.3
[M+K]+	517.17356	217.1
[M+H-H2O]+	461.20766	209.6
[M+HCOO]-	523.20860	223.6
[M+CH3COO]-	537.22425	233.7
[M+Na-2H]-	499.18507	215.0
[M]+	478.20985	218.9
[M]-	478.21095	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.21768

216.6

[M+Na]+

501.19962

220.3

[M-H]-

477.20312

219.8

[M+NH4]+

496.24422

229.3

[M+K]+

517.17356

217.1

[M+H-H2O]+

461.20766

209.6

[M+HCOO]-

523.20860

223.6

[M+CH3COO]-

537.22425

233.7

[M+Na-2H]-

499.18507

215.0

[M]+

478.20985

218.9

[M]-

478.21095

218.9

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

2624138-05-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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