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-methylpyridin-2-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

160.10005 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 136.7
[M+Na]+ 183.08927 146.8
[M-H]- 159.09277 138.8
[M+NH4]+ 178.13387 154.5
[M+K]+ 199.06321 144.3
[M+H-H2O]+ 143.09731 124.2
[M+HCOO]- 205.09825 154.6
[M+CH3COO]- 219.11390 192.1
[M+Na-2H]- 181.07472 143.6
[M]+ 160.09950 132.1
[M]- 160.10060 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