CID 88739

2-cyano-4-methylpyridine

Structural Information

Molecular Formula
C7H6N2
SMILES
CC1=CC(=NC=C1)C#N
InChI
InChI=1S/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3
InChIKey
LQAWSWUFSHYCHP-UHFFFAOYSA-N
Compound name
4-methylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1012
Patents

118.0531 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 120.9
[M+Na]+ 141.04232 131.8
[M-H]- 117.04582 123.1
[M+NH4]+ 136.08692 140.1
[M+K]+ 157.01626 129.5
[M+H-H2O]+ 101.05036 108.3
[M+HCOO]- 163.05130 141.1
[M+CH3COO]- 177.06695 183.7
[M+Na-2H]- 139.02777 129.1
[M]+ 118.05255 115.8
[M]- 118.05365 115.8
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