CID 13144281

89809-65-4

Structural Information

Molecular Formula
C8H6N2O2
SMILES
COC(=O)C1=CN=C(C=C1)C#N
InChI
InChI=1S/C8H6N2O2/c1-12-8(11)6-2-3-7(4-9)10-5-6/h2-3,5H,1H3
InChIKey
FZVAWHJPGGLCPC-UHFFFAOYSA-N
Compound name
methyl 6-cyanopyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

162.04292 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.050196 131.2
[M+Na]+ 185.032138 141.6
[M-H]- 161.035644 133.3
[M+NH4]+ 180.076743 148.6
[M+K]+ 201.006078 139.9
[M+H-H2O]+ 145.040180 118.1
[M+HCOO]- 207.041121 150.8
[M+CH3COO]- 221.056771 189.3
[M+Na-2H]- 183.017586 137.6
[M]+ 162.04237142 127.7
[M]- 162.04346858 127.7
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