CID 167511829

2-(3-chloro-4-methylpyridin-2-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C10H11ClN2
SMILES
CC1=C(C(=NC=C1)C(C)(C)C#N)Cl
InChI
InChI=1S/C10H11ClN2/c1-7-4-5-13-9(8(7)11)10(2,3)6-12/h4-5H,1-3H3
InChIKey
IUYAYDGHBSLDTH-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methyl-2-pyridinyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.06108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.068356 142.5
[M+Na]+ 217.050298 154.2
[M-H]- 193.053804 144.8
[M+NH4]+ 212.094903 160.1
[M+K]+ 233.024238 149.8
[M+H-H2O]+ 177.058340 130.7
[M+HCOO]- 239.059281 156.2
[M+CH3COO]- 253.074931 196.5
[M+Na-2H]- 215.035746 148.3
[M]+ 194.06053142 139.9
[M]- 194.06162858 139.9
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

No patent data available for this compound.