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]+ 172.096816 135.8
[M+Na]+ 194.078758 142.8
[M-H]- 170.082264 135.3
[M+NH4]+ 189.123363 155.5
[M+K]+ 210.052698 141.0
[M+H-H2O]+ 154.086800 131.3
[M+HCOO]- 216.087741 152.1
[M+CH3COO]- 230.103391 174.0
[M+Na-2H]- 192.064206 139.3
[M]+ 171.08899142 131.3
[M]- 171.09008858 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.