CID 44827690

915922-33-7

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)N1CC(CCC1=O)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-6(2)10-5-7(9(12)13)3-4-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKey
AURZNDIACRTZIX-UHFFFAOYSA-N
Compound name
6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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 140.0
[M+Na]+ 208.09442 145.8
[M-H]- 184.09792 140.5
[M+NH4]+ 203.13902 157.8
[M+K]+ 224.06836 144.9
[M+H-H2O]+ 168.10246 134.2
[M+HCOO]- 230.10340 156.5
[M+CH3COO]- 244.11905 180.9
[M+Na-2H]- 206.07987 141.1
[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

No literature data available for this compound.

Patent stripe

patents stripe