CID 595990

Methyl 5-ethenylpyridine-3-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

163.06332 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe