CID 75176259

Ethyl 3-(1,3-dioxolan-2-yl)pyridine-2-carboxylate

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCOC(=O)C1=C(C=CC=N1)C2OCCO2
InChI
InChI=1S/C11H13NO4/c1-2-14-10(13)9-8(4-3-5-12-9)11-15-6-7-16-11/h3-5,11H,2,6-7H2,1H3
InChIKey
JWKPKPVJFPFACS-UHFFFAOYSA-N
Compound name
ethyl 3-(1,3-dioxolan-2-yl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.08446 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.1
[M+Na]+ 246.073678 153.9
[M-H]- 222.077184 153.6
[M+NH4]+ 241.118283 162.8
[M+K]+ 262.047618 155.1
[M+H-H2O]+ 206.081720 140.1
[M+HCOO]- 268.082661 167.3
[M+CH3COO]- 282.098311 185.2
[M+Na-2H]- 244.059126 152.0
[M]+ 223.08391142 149.5
[M]- 223.08500858 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.