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

27
Patents

157.0739 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.081176 133.2
[M+Na]+ 180.063118 138.8
[M-H]- 156.066624 134.7
[M+NH4]+ 175.107723 156.0
[M+K]+ 196.037058 138.1
[M+H-H2O]+ 140.071160 128.9
[M+HCOO]- 202.072101 154.0
[M+CH3COO]- 216.087751 173.3
[M+Na-2H]- 178.048566 135.8
[M]+ 157.07335142 128.4
[M]- 157.07444858 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