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]+ 186.11248 140.9
[M+Na]+ 208.09442 145.6
[M-H]- 184.09792 140.9
[M+NH4]+ 203.13902 158.3
[M+K]+ 224.06836 144.7
[M+H-H2O]+ 168.10246 134.7
[M+HCOO]- 230.10340 157.3
[M+CH3COO]- 244.11905 179.7
[M+Na-2H]- 206.07987 142.5
[M]+ 185.10465 137.2
[M]- 185.10575 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.