PubChemLite - 2377031-23-5 (C27H30N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N1CC2(C1)C(CCN2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O

InChI

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

InChIKey

GROGCJNYEADCCJ-UHFFFAOYSA-N

Compound name

5-(9H-fluoren-9-ylmethoxycarbonyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-diazaspiro[3.4]octane-8-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	217.6
[M+Na]+	501.19962	219.9
[M-H]-	477.20312	223.6
[M+NH4]+	496.24422	222.8
[M+K]+	517.17356	220.1
[M+H-H2O]+	461.20766	205.6
[M+HCOO]-	523.20860	226.2
[M+CH3COO]-	537.22425	234.4
[M+Na-2H]-	499.18507	213.7
[M]+	478.20985	228.1
[M]-	478.21095	228.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.21768

217.6

[M+Na]+

501.19962

219.9

[M-H]-

477.20312

223.6

[M+NH4]+

496.24422

222.8

[M+K]+

517.17356

220.1

[M+H-H2O]+

461.20766

205.6

[M+HCOO]-

523.20860

226.2

[M+CH3COO]-

537.22425

234.4

[M+Na-2H]-

499.18507

213.7

[M]+

478.20985

228.1

[M]-

478.21095

228.1

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

2377031-23-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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