CID 12508535

2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C10H11ClN2
SMILES
CC(C)CC1=NC(=C(C=C1)C#N)Cl
InChI
InChI=1S/C10H11ClN2/c1-7(2)5-9-4-3-8(6-12)10(11)13-9/h3-4,7H,5H2,1-2H3
InChIKey
DLWNSWQKGJZWIP-UHFFFAOYSA-N
Compound name
2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.06108 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06836 138.9
[M+Na]+ 217.05030 152.5
[M+NH4]+ 212.09490 144.3
[M+K]+ 233.02424 142.4
[M-H]- 193.05380 133.8
[M+Na-2H]- 215.03575 143.5
[M]+ 194.06053 138.9
[M]- 194.06163 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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