CID 16228437

923225-18-7

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CCC(C1)C(=O)NCCC(=O)O
InChI
InChI=1S/C9H15NO3/c11-8(12)5-6-10-9(13)7-3-1-2-4-7/h7H,1-6H2,(H,10,13)(H,11,12)
InChIKey
CQVCSQWKPXBBHM-UHFFFAOYSA-N
Compound name
3-(cyclopentanecarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

185.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 142.8
[M+Na]+ 208.094418 146.6
[M-H]- 184.097924 144.1
[M+NH4]+ 203.139023 162.7
[M+K]+ 224.068358 145.6
[M+H-H2O]+ 168.102460 136.9
[M+HCOO]- 230.103401 163.6
[M+CH3COO]- 244.119051 179.8
[M+Na-2H]- 206.079866 144.0
[M]+ 185.10465142 139.2
[M]- 185.10574858 139.2
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

patents stripe