CID 91654447

Methyl 2-[5-(1,3-dioxolan-2-yl)pyridin-2-yl]acetate

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC(=O)CC1=NC=C(C=C1)C2OCCO2
InChI
InChI=1S/C11H13NO4/c1-14-10(13)6-9-3-2-8(7-12-9)11-15-4-5-16-11/h2-3,7,11H,4-6H2,1H3
InChIKey
WOMXIDXFGDWDTK-UHFFFAOYSA-N
Compound name
methyl 2-[5-(1,3-dioxolan-2-yl)pyridin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 147.1
[M+Na]+ 246.07368 153.9
[M-H]- 222.07718 153.6
[M+NH4]+ 241.11828 162.8
[M+K]+ 262.04762 155.1
[M+H-H2O]+ 206.08172 140.1
[M+HCOO]- 268.08266 167.3
[M+CH3COO]- 282.09831 185.2
[M+Na-2H]- 244.05913 152.0
[M]+ 223.08391 149.5
[M]- 223.08501 149.5
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.