CID 96614938

4-(2,6-dimethyl-4-oxo-1,4-dihydropyridin-1-yl)butanoic acid

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-oxopyridin-1-yl)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]+ 210.11248 143.8
[M+Na]+ 232.09442 152.9
[M-H]- 208.09792 145.3
[M+NH4]+ 227.13902 161.3
[M+K]+ 248.06836 150.4
[M+H-H2O]+ 192.10246 137.6
[M+HCOO]- 254.10340 164.9
[M+CH3COO]- 268.11905 186.2
[M+Na-2H]- 230.07987 147.2
[M]+ 209.10465 146.5
[M]- 209.10575 146.6
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.