CID 12621980

2-(cyclopentylformamido)propanoic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C(=O)O)NC(=O)C1CCCC1
InChI
InChI=1S/C9H15NO3/c1-6(9(12)13)10-8(11)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKey
WLHVFWMGYCZXDM-UHFFFAOYSA-N
Compound name
2-(cyclopentanecarbonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

185.1052 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 143.3
[M+Na]+ 208.09442 146.8
[M-H]- 184.09792 144.7
[M+NH4]+ 203.13902 163.1
[M+K]+ 224.06836 146.3
[M+H-H2O]+ 168.10246 137.6
[M+HCOO]- 230.10340 163.0
[M+CH3COO]- 244.11905 180.7
[M+Na-2H]- 206.07987 143.2
[M]+ 185.10465 139.1
[M]- 185.10575 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe