CID 44364451

4-(6-oxopiperidin-2-yl)butanoic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CC(NC(=O)C1)CCCC(=O)O
InChI
InChI=1S/C9H15NO3/c11-8-5-1-3-7(10-8)4-2-6-9(12)13/h7H,1-6H2,(H,10,11)(H,12,13)
InChIKey
KOMIIPGAUWVSJY-UHFFFAOYSA-N
Compound name
4-(6-oxopiperidin-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

185.1052 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 141.8
[M+Na]+ 208.094418 146.4
[M-H]- 184.097924 140.3
[M+NH4]+ 203.139023 158.5
[M+K]+ 224.068358 144.0
[M+H-H2O]+ 168.102460 135.7
[M+HCOO]- 230.103401 157.7
[M+CH3COO]- 244.119051 176.3
[M+Na-2H]- 206.079866 144.1
[M]+ 185.10465142 136.8
[M]- 185.10574858 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.