CID 66032716

3-(((benzyloxy)carbonyl)amino)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1CC(CC1C(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c16-13(17)11-6-7-12(8-11)15-14(18)19-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,15,18)(H,16,17)
InChIKey
DEHMZYGMZLWARX-UHFFFAOYSA-N
Compound name
3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 159.8
[M+Na]+ 286.104968 163.6
[M-H]- 262.108474 164.5
[M+NH4]+ 281.149573 176.5
[M+K]+ 302.078908 161.5
[M+H-H2O]+ 246.113010 152.7
[M+HCOO]- 308.113951 180.8
[M+CH3COO]- 322.129601 193.2
[M+Na-2H]- 284.090416 160.4
[M]+ 263.11520142 157.4
[M]- 263.11629858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.