CID 14442206

4-(1-chloroethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC(C1=CC=NC=C1)Cl
InChI
InChI=1S/C7H8ClN/c1-6(8)7-2-4-9-5-3-7/h2-6H,1H3
InChIKey
XBTYVRGJFWXDCX-UHFFFAOYSA-N
Compound name
4-(1-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

141.03453 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.041806 124.6
[M+Na]+ 164.023748 133.3
[M-H]- 140.027254 126.7
[M+NH4]+ 159.068353 145.7
[M+K]+ 179.997688 130.4
[M+H-H2O]+ 124.031790 119.2
[M+HCOO]- 186.032731 142.9
[M+CH3COO]- 200.048381 172.8
[M+Na-2H]- 162.009196 132.4
[M]+ 141.03398142 125.5
[M]- 141.03507858 125.5
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