CID 43172758

3-(2-oxopiperidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(CC(=O)O)N1CCCCC1=O
InChI
InChI=1S/C9H15NO3/c1-7(6-9(12)13)10-5-3-2-4-8(10)11/h7H,2-6H2,1H3,(H,12,13)
InChIKey
AOJXLWLOLXBHKZ-UHFFFAOYSA-N
Compound name
3-(2-oxopiperidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 140.9
[M+Na]+ 208.094418 145.6
[M-H]- 184.097924 140.9
[M+NH4]+ 203.139023 158.3
[M+K]+ 224.068358 144.7
[M+H-H2O]+ 168.102460 134.7
[M+HCOO]- 230.103401 157.3
[M+CH3COO]- 244.119051 179.7
[M+Na-2H]- 206.079866 142.5
[M]+ 185.10465142 137.2
[M]- 185.10574858 137.2
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.