CID 16226767

871478-82-9

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C1CC(CN(C1)C(=O)N)C(=O)O
InChI
InChI=1S/C7H12N2O3/c8-7(12)9-3-1-2-5(4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
InChIKey
CRCXZDRNTOBHLY-UHFFFAOYSA-N
Compound name
1-carbamoylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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

No literature data available for this compound.

Patent stripe

patents stripe