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

24
Patents

185.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 140.0
[M+Na]+ 208.094418 145.8
[M-H]- 184.097924 140.5
[M+NH4]+ 203.139023 157.8
[M+K]+ 224.068358 144.9
[M+H-H2O]+ 168.102460 134.2
[M+HCOO]- 230.103401 156.5
[M+CH3COO]- 244.119051 180.9
[M+Na-2H]- 206.079866 141.1
[M]+ 185.10465142 136.8
[M]- 185.10574858 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