CID 12904677

2-methyl-2-pyridin-2-ylpropanenitrile

Structural Information

Molecular Formula
C9H10N2
SMILES
CC(C)(C#N)C1=CC=CC=N1
InChI
InChI=1S/C9H10N2/c1-9(2,7-10)8-5-3-4-6-11-8/h3-6H,1-2H3
InChIKey
SYILGDLWTPODQG-UHFFFAOYSA-N
Compound name
2-methyl-2-pyridin-2-ylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

146.0844 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.09168 133.2
[M+Na]+ 169.07362 142.9
[M-H]- 145.07712 135.1
[M+NH4]+ 164.11822 151.2
[M+K]+ 185.04756 140.4
[M+H-H2O]+ 129.08166 120.6
[M+HCOO]- 191.08260 151.4
[M+CH3COO]- 205.09825 188.4
[M+Na-2H]- 167.05907 141.2
[M]+ 146.08385 128.0
[M]- 146.08495 128.0
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