CID 82656618

Methyl 3-(6-methylpyridin-2-yl)-3-oxopropanoate

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1=NC(=CC=C1)C(=O)CC(=O)OC
InChI
InChI=1S/C10H11NO3/c1-7-4-3-5-8(11-7)9(12)6-10(13)14-2/h3-5H,6H2,1-2H3
InChIKey
CHVKAWYVHSIQMT-UHFFFAOYSA-N
Compound name
methyl 3-(6-methyl-2-pyridinyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.4
[M+Na]+ 216.063118 147.4
[M-H]- 192.066624 141.9
[M+NH4]+ 211.107723 157.6
[M+K]+ 232.037058 146.5
[M+H-H2O]+ 176.071160 132.8
[M+HCOO]- 238.072101 161.5
[M+CH3COO]- 252.087751 183.5
[M+Na-2H]- 214.048566 144.1
[M]+ 193.07335142 142.2
[M]- 193.07444858 142.2
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.