CID 53485449

2-methyl-2-(5-methylpyridin-2-yl)propanenitrile

Structural Information

Molecular Formula
C10H12N2
SMILES
CC1=CN=C(C=C1)C(C)(C)C#N
InChI
InChI=1S/C10H12N2/c1-8-4-5-9(12-6-8)10(2,3)7-11/h4-6H,1-3H3
InChIKey
RZSFRZYGHSQKDJ-UHFFFAOYSA-N
Compound name
2-methyl-2-(5-methyl-2-pyridinyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

160.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.107326 136.7
[M+Na]+ 183.089268 146.8
[M-H]- 159.092774 138.8
[M+NH4]+ 178.133873 154.5
[M+K]+ 199.063208 144.3
[M+H-H2O]+ 143.097310 124.2
[M+HCOO]- 205.098251 154.6
[M+CH3COO]- 219.113901 192.1
[M+Na-2H]- 181.074716 143.6
[M]+ 160.09950142 132.1
[M]- 160.10059858 132.1
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