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]+ 195.06836 139.3
[M+Na]+ 217.05030 150.5
[M-H]- 193.05380 141.3
[M+NH4]+ 212.09490 156.8
[M+K]+ 233.02424 146.0
[M+H-H2O]+ 177.05834 127.2
[M+HCOO]- 239.05928 153.7
[M+CH3COO]- 253.07493 197.0
[M+Na-2H]- 215.03575 143.8
[M]+ 194.06053 136.7
[M]- 194.06163 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.