CID 43078359

3-(3-carbamoylpiperidin-1-yl)propanoic acid

Structural Information

Molecular Formula
C9H16N2O3
SMILES
C1CC(CN(C1)CCC(=O)O)C(=O)N
InChI
InChI=1S/C9H16N2O3/c10-9(14)7-2-1-4-11(6-7)5-3-8(12)13/h7H,1-6H2,(H2,10,14)(H,12,13)
InChIKey
SKSOTLDJSIVFBV-UHFFFAOYSA-N
Compound name
3-(3-carbamoylpiperidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.11609 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.123366 145.4
[M+Na]+ 223.105308 149.3
[M-H]- 199.108814 144.8
[M+NH4]+ 218.149913 161.5
[M+K]+ 239.079248 148.0
[M+H-H2O]+ 183.113350 138.7
[M+HCOO]- 245.114291 162.2
[M+CH3COO]- 259.129941 184.2
[M+Na-2H]- 221.090756 146.3
[M]+ 200.11554142 139.9
[M]- 200.11663858 139.9
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.