CID 3875700

1-carbamoylpiperidine-4-carboxylic acid

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C1CN(CCC1C(=O)O)C(=O)N
InChI
InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
InChIKey
SIYQEPJUSPTPGW-UHFFFAOYSA-N
Compound name
1-carbamoylpiperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

69
Patents

172.0848 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 136.7
[M+Na]+ 195.074018 141.5
[M-H]- 171.077524 136.5
[M+NH4]+ 190.118623 154.0
[M+K]+ 211.047958 140.7
[M+H-H2O]+ 155.082060 130.4
[M+HCOO]- 217.083001 154.2
[M+CH3COO]- 231.098651 177.4
[M+Na-2H]- 193.059466 138.6
[M]+ 172.08425142 130.4
[M]- 172.08534858 130.4
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