CID 10866575

68700-93-6

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

551
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 128.7
[M+Na]+ 178.03939 138.0
[M-H]- 154.04289 131.1
[M+NH4]+ 173.08399 149.5
[M+K]+ 194.01333 134.8
[M+H-H2O]+ 138.04743 123.4
[M+HCOO]- 200.04837 146.7
[M+CH3COO]- 214.06402 176.9
[M+Na-2H]- 176.02484 135.3
[M]+ 155.04962 130.4
[M]- 155.05072 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe