CID 121553020

5-methoxy-6-methylpyridine-3-carbonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=C(C=C(C=N1)C#N)OC
InChI
InChI=1S/C8H8N2O/c1-6-8(11-2)3-7(4-9)5-10-6/h3,5H,1-2H3
InChIKey
KKUPOCRPLKMPKT-UHFFFAOYSA-N
Compound name
5-methoxy-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.06366 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 126.9
[M+Na]+ 171.052878 138.2
[M-H]- 147.056384 129.3
[M+NH4]+ 166.097483 145.3
[M+K]+ 187.026818 136.3
[M+H-H2O]+ 131.060920 114.3
[M+HCOO]- 193.061861 147.1
[M+CH3COO]- 207.077511 189.2
[M+Na-2H]- 169.038326 134.0
[M]+ 148.06311142 123.8
[M]- 148.06420858 123.8
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