CID 176472628

2,6,6-trimethyl-4-oxopiperidine-2-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC1(CC(=O)CC(N1)(C)C(=O)O)C
InChI
InChI=1S/C9H15NO3/c1-8(2)4-6(11)5-9(3,10-8)7(12)13/h10H,4-5H2,1-3H3,(H,12,13)
InChIKey
UREUAISKPORANH-UHFFFAOYSA-N
Compound name
2,6,6-trimethyl-4-oxopiperidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 138.5
[M+Na]+ 208.094418 146.0
[M-H]- 184.097924 138.3
[M+NH4]+ 203.139023 159.8
[M+K]+ 224.068358 144.4
[M+H-H2O]+ 168.102460 135.0
[M+HCOO]- 230.103401 154.5
[M+CH3COO]- 244.119051 176.8
[M+Na-2H]- 206.079866 143.0
[M]+ 185.10465142 134.9
[M]- 185.10574858 134.9
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

No patent data available for this compound.