CID 66815596

Methyl 6-vinylnicotinate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

163.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 131.7
[M+Na]+ 186.052538 140.5
[M-H]- 162.056044 134.4
[M+NH4]+ 181.097143 151.3
[M+K]+ 202.026478 138.9
[M+H-H2O]+ 146.060580 125.4
[M+HCOO]- 208.061521 154.9
[M+CH3COO]- 222.077171 177.5
[M+Na-2H]- 184.037986 138.2
[M]+ 163.06277142 133.4
[M]- 163.06386858 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