CID 96614938

933690-54-1

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=CC(=O)C=C(N1CCCC(=O)O)C
InChI
InChI=1S/C11H15NO3/c1-8-6-10(13)7-9(2)12(8)5-3-4-11(14)15/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKey
UOYSZORDYPABLU-UHFFFAOYSA-N
Compound name
4-(2,6-dimethyl-4-oxo-1-pyridinyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 143.8
[M+Na]+ 232.094418 152.9
[M-H]- 208.097924 145.3
[M+NH4]+ 227.139023 161.3
[M+K]+ 248.068358 150.4
[M+H-H2O]+ 192.102460 137.6
[M+HCOO]- 254.103401 164.9
[M+CH3COO]- 268.119051 186.2
[M+Na-2H]- 230.079866 147.2
[M]+ 209.10465142 146.5
[M]- 209.10574858 146.5
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.