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

302
Patents

155.05017 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 128.7
[M+Na]+ 178.039388 138.0
[M-H]- 154.042894 131.1
[M+NH4]+ 173.083993 149.5
[M+K]+ 194.013328 134.8
[M+H-H2O]+ 138.047430 123.4
[M+HCOO]- 200.048371 146.7
[M+CH3COO]- 214.064021 176.9
[M+Na-2H]- 176.024836 135.3
[M]+ 155.04962142 130.4
[M]- 155.05071858 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