CID 84654076

4,4-dimethyl-6-oxopiperidine-3-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC1(CC(=O)NCC1C(=O)O)C
InChI
InChI=1S/C8H13NO3/c1-8(2)3-6(10)9-4-5(8)7(11)12/h5H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
SRTZZSUHIXEGIN-UHFFFAOYSA-N
Compound name
4,4-dimethyl-6-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.8
[M+Na]+ 194.07876 142.8
[M-H]- 170.08226 135.3
[M+NH4]+ 189.12336 155.5
[M+K]+ 210.05270 141.0
[M+H-H2O]+ 154.08680 131.3
[M+HCOO]- 216.08774 152.1
[M+CH3COO]- 230.10339 174.0
[M+Na-2H]- 192.06421 139.3
[M]+ 171.08899 131.3
[M]- 171.09009 131.3
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.