CID 8167269

3,5-dimethylpyridine-2-carbonitrile

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=CC(=C(N=C1)C#N)C
InChI
InChI=1S/C8H8N2/c1-6-3-7(2)8(4-9)10-5-6/h3,5H,1-2H3
InChIKey
MYBGPKXHLYUSQF-UHFFFAOYSA-N
Compound name
3,5-dimethylpyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

132.06874 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 124.4
[M+Na]+ 155.057958 135.8
[M-H]- 131.061464 126.9
[M+NH4]+ 150.102563 143.4
[M+K]+ 171.031898 133.4
[M+H-H2O]+ 115.066000 112.0
[M+HCOO]- 177.066941 144.4
[M+CH3COO]- 191.082591 187.4
[M+Na-2H]- 153.043406 131.5
[M]+ 132.06819142 120.1
[M]- 132.06928858 120.1
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