CID 12812206

2-(4-methylpyridin-2-yl)acetonitrile

Structural Information

Molecular Formula
C8H8N2
SMILES
CC1=CC(=NC=C1)CC#N
InChI
InChI=1S/C8H8N2/c1-7-3-5-10-8(6-7)2-4-9/h3,5-6H,2H2,1H3
InChIKey
AEGDUGKVESUBLG-UHFFFAOYSA-N
Compound name
2-(4-methylpyridin-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

132.06874 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07602 124.9
[M+Na]+ 155.05796 135.4
[M-H]- 131.06146 126.9
[M+NH4]+ 150.10256 143.6
[M+K]+ 171.03190 132.8
[M+H-H2O]+ 115.06600 112.2
[M+HCOO]- 177.06694 144.8
[M+CH3COO]- 191.08259 186.4
[M+Na-2H]- 153.04341 132.6
[M]+ 132.06819 120.2
[M]- 132.06929 120.2
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