CID 131309847

5-tert-butyl-2-chloropyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H11ClN2
SMILES
CC(C)(C)C1=CC(=C(N=C1)Cl)C#N
InChI
InChI=1S/C10H11ClN2/c1-10(2,3)8-4-7(5-12)9(11)13-6-8/h4,6H,1-3H3
InChIKey
BAVMJCPUYDCCBK-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.06108 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.068356 142.8
[M+Na]+ 217.050298 154.6
[M-H]- 193.053804 145.2
[M+NH4]+ 212.094903 160.5
[M+K]+ 233.024238 150.2
[M+H-H2O]+ 177.058340 131.1
[M+HCOO]- 239.059281 156.6
[M+CH3COO]- 253.074931 195.9
[M+Na-2H]- 215.035746 148.6
[M]+ 194.06053142 140.2
[M]- 194.06162858 140.2
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