CID 61658380

6-(butan-2-yl)-2-chloropyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H11ClN2
SMILES
CCC(C)C1=NC(=C(C=C1)C#N)Cl
InChI
InChI=1S/C10H11ClN2/c1-3-7(2)9-5-4-8(6-12)10(11)13-9/h4-5,7H,3H2,1-2H3
InChIKey
JOJGKPOIURPFHH-UHFFFAOYSA-N
Compound name
6-butan-2-yl-2-chloropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06108 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.068356 139.3
[M+Na]+ 217.050298 150.5
[M-H]- 193.053804 141.3
[M+NH4]+ 212.094903 156.8
[M+K]+ 233.024238 146.0
[M+H-H2O]+ 177.058340 127.2
[M+HCOO]- 239.059281 153.7
[M+CH3COO]- 253.074931 197.0
[M+Na-2H]- 215.035746 143.8
[M]+ 194.06053142 136.7
[M]- 194.06162858 136.7
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.