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]+ 208.096816 144.8
[M+Na]+ 230.078758 151.1
[M-H]- 206.082264 146.8
[M+NH4]+ 225.123363 162.0
[M+K]+ 246.052698 150.5
[M+H-H2O]+ 190.086800 137.8
[M+HCOO]- 252.087741 165.6
[M+CH3COO]- 266.103391 186.2
[M+Na-2H]- 228.064206 148.4
[M]+ 207.08899142 146.9
[M]- 207.09008858 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.