CID 5323803

2-methoxy-6-methylnicotinonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=NC(=C(C=C1)C#N)OC
InChI
InChI=1S/C8H8N2O/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3
InChIKey
IDUHMLQSIWHQKZ-UHFFFAOYSA-N
Compound name
2-methoxy-6-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

148.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.9
[M+Na]+ 171.05288 138.2
[M-H]- 147.05638 129.3
[M+NH4]+ 166.09748 145.3
[M+K]+ 187.02682 136.3
[M+H-H2O]+ 131.06092 114.3
[M+HCOO]- 193.06186 147.1
[M+CH3COO]- 207.07751 189.2
[M+Na-2H]- 169.03833 134.0
[M]+ 148.06311 123.8
[M]- 148.06421 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

literature stripe

Patent stripe

patents stripe