CID 61685371

Methyl 2-methyl-3-oxo-4-(pyridin-2-yl)butanoate

Structural Information

Molecular Formula
C11H13NO3
SMILES
CC(C(=O)CC1=CC=CC=N1)C(=O)OC
InChI
InChI=1S/C11H13NO3/c1-8(11(14)15-2)10(13)7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3
InChIKey
LYVIVSUHQUKZNV-UHFFFAOYSA-N
Compound name
methyl 2-methyl-3-oxo-4-pyridin-2-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 144.8
[M+Na]+ 230.07876 151.1
[M-H]- 206.08226 146.8
[M+NH4]+ 225.12336 162.0
[M+K]+ 246.05270 150.5
[M+H-H2O]+ 190.08680 137.8
[M+HCOO]- 252.08774 165.6
[M+CH3COO]- 266.10339 186.2
[M+Na-2H]- 228.06421 148.4
[M]+ 207.08899 146.9
[M]- 207.09009 146.9
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.