CID 16228437

3-(cyclopentylformamido)propanoic acid

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]+ 186.11248 142.8
[M+Na]+ 208.09442 146.6
[M-H]- 184.09792 144.1
[M+NH4]+ 203.13902 162.7
[M+K]+ 224.06836 145.6
[M+H-H2O]+ 168.10246 136.9
[M+HCOO]- 230.10340 163.6
[M+CH3COO]- 244.11905 179.8
[M+Na-2H]- 206.07987 144.0
[M]+ 185.10465 139.2
[M]- 185.10575 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