CID 42609247

3-(6-oxopiperidin-3-yl)propanoic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1CC(=O)NCC1CCC(=O)O
InChI
InChI=1S/C8H13NO3/c10-7-3-1-6(5-9-7)2-4-8(11)12/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKey
XHJGXWZMEWCGKP-UHFFFAOYSA-N
Compound name
3-(6-oxopiperidin-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 137.3
[M+Na]+ 194.07876 142.3
[M-H]- 170.08226 136.0
[M+NH4]+ 189.12336 154.6
[M+K]+ 210.05270 140.2
[M+H-H2O]+ 154.08680 131.4
[M+HCOO]- 216.08774 153.5
[M+CH3COO]- 230.10339 173.2
[M+Na-2H]- 192.06421 140.1
[M]+ 171.08899 131.9
[M]- 171.09009 131.9
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.