CID 57416840

103441-73-2

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC(=O)C1=CC=CC(=N1)C=C
InChI
InChI=1S/C9H9NO2/c1-3-7-5-4-6-8(10-7)9(11)12-2/h3-6H,1H2,2H3
InChIKey
MJAGAAYXKQNLFQ-UHFFFAOYSA-N
Compound name
methyl 6-ethenylpyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

163.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 131.7
[M+Na]+ 186.05254 140.5
[M-H]- 162.05604 134.4
[M+NH4]+ 181.09714 151.3
[M+K]+ 202.02648 138.9
[M+H-H2O]+ 146.06058 125.4
[M+HCOO]- 208.06152 154.9
[M+CH3COO]- 222.07717 177.5
[M+Na-2H]- 184.03799 138.2
[M]+ 163.06277 133.4
[M]- 163.06387 133.4
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

patents stripe