CID 10866575

2-chloro-5-isopropylpyridine

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC(C)C1=CN=C(C=C1)Cl
InChI
InChI=1S/C8H10ClN/c1-6(2)7-3-4-8(9)10-5-7/h3-6H,1-2H3
InChIKey
DNJROFGCOSDKIL-UHFFFAOYSA-N
Compound name
2-chloro-5-propan-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

530
Patents

155.05017 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 129.3
[M+Na]+ 178.03939 144.2
[M+NH4]+ 173.08399 139.1
[M+K]+ 194.01333 136.7
[M-H]- 154.04289 131.9
[M+Na-2H]- 176.02484 137.6
[M]+ 155.04962 132.6
[M]- 155.05072 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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