CID 19373201

1-carbamoylcyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H11NO3
SMILES
C1CCC(C1)(C(=O)N)C(=O)O
InChI
InChI=1S/C7H11NO3/c8-5(9)7(6(10)11)3-1-2-4-7/h1-4H2,(H2,8,9)(H,10,11)
InChIKey
LYNLJRWPCQRLBT-UHFFFAOYSA-N
Compound name
1-carbamoylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

157.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 133.2
[M+Na]+ 180.06312 138.8
[M-H]- 156.06662 134.7
[M+NH4]+ 175.10772 156.0
[M+K]+ 196.03706 138.1
[M+H-H2O]+ 140.07116 128.9
[M+HCOO]- 202.07210 154.0
[M+CH3COO]- 216.08775 173.3
[M+Na-2H]- 178.04857 135.8
[M]+ 157.07335 128.4
[M]- 157.07445 128.4
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

patents stripe