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]+ 186.11248 140.9
[M+Na]+ 208.09442 145.9
[M-H]- 184.09792 140.9
[M+NH4]+ 203.13902 158.4
[M+K]+ 224.06836 144.5
[M+H-H2O]+ 168.10246 134.6
[M+HCOO]- 230.10340 158.4
[M+CH3COO]- 244.11905 178.8
[M+Na-2H]- 206.07987 143.8
[M]+ 185.10465 137.9
[M]- 185.10575 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