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]+ 173.09208 136.7
[M+Na]+ 195.07402 141.5
[M-H]- 171.07752 136.5
[M+NH4]+ 190.11862 154.0
[M+K]+ 211.04796 140.7
[M+H-H2O]+ 155.08206 130.4
[M+HCOO]- 217.08300 154.2
[M+CH3COO]- 231.09865 177.4
[M+Na-2H]- 193.05947 138.6
[M]+ 172.08425 130.4
[M]- 172.08535 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.