CID 595276

2-methoxy-4,6-dimethylnicotinonitrile

Structural Information

Molecular Formula
C9H10N2O
SMILES
CC1=CC(=NC(=C1C#N)OC)C
InChI
InChI=1S/C9H10N2O/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,1-3H3
InChIKey
WEJLKGQPSKTCBR-UHFFFAOYSA-N
Compound name
2-methoxy-4,6-dimethylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

101
Patents

162.07932 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 130.5
[M+Na]+ 185.068538 142.1
[M-H]- 161.072044 133.1
[M+NH4]+ 180.113143 148.6
[M+K]+ 201.042478 140.1
[M+H-H2O]+ 145.076580 117.9
[M+HCOO]- 207.077521 150.4
[M+CH3COO]- 221.093171 192.9
[M+Na-2H]- 183.053986 136.5
[M]+ 162.07877142 128.1
[M]- 162.07986858 128.1
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