CID 12842029

4-(2-oxopiperidin-1-yl)butanoic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C1CCN(C(=O)C1)CCCC(=O)O
InChI
InChI=1S/C9H15NO3/c11-8-4-1-2-6-10(8)7-3-5-9(12)13/h1-7H2,(H,12,13)
InChIKey
ZFABTULRPMUZDB-UHFFFAOYSA-N
Compound name
4-(2-oxopiperidin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

185.1052 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 140.9
[M+Na]+ 208.094418 145.9
[M-H]- 184.097924 140.9
[M+NH4]+ 203.139023 158.4
[M+K]+ 224.068358 144.5
[M+H-H2O]+ 168.102460 134.6
[M+HCOO]- 230.103401 158.4
[M+CH3COO]- 244.119051 178.8
[M+Na-2H]- 206.079866 143.8
[M]+ 185.10465142 137.9
[M]- 185.10574858 137.9
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

patents stripe