CID 14570981

120145-22-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

309
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

No literature data available for this compound.

Patent stripe

patents stripe