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]+ 264.12303 159.8
[M+Na]+ 286.10497 163.6
[M-H]- 262.10847 164.5
[M+NH4]+ 281.14957 176.5
[M+K]+ 302.07891 161.5
[M+H-H2O]+ 246.11301 152.7
[M+HCOO]- 308.11395 180.8
[M+CH3COO]- 322.12960 193.2
[M+Na-2H]- 284.09042 160.4
[M]+ 263.11520 157.4
[M]- 263.11630 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.