CID 44364451

90942-98-6

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]+ 186.11248 141.8
[M+Na]+ 208.09442 146.4
[M-H]- 184.09792 140.3
[M+NH4]+ 203.13902 158.5
[M+K]+ 224.06836 144.0
[M+H-H2O]+ 168.10246 135.7
[M+HCOO]- 230.10340 157.7
[M+CH3COO]- 244.11905 176.3
[M+Na-2H]- 206.07987 144.1
[M]+ 185.10465 136.8
[M]- 185.10575 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.