CID 199466

3-(2-chloroethyl)pyridine hydrochloride

Structural Information

Molecular Formula
C7H8ClN
SMILES
C1=CC(=CN=C1)CCCl
InChI
InChI=1S/C7H8ClN/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2
InChIKey
GNTABMURWRWYSV-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

141.03453 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 124.6
[M+Na]+ 164.02375 133.6
[M-H]- 140.02725 126.6
[M+NH4]+ 159.06835 145.7
[M+K]+ 179.99769 130.2
[M+H-H2O]+ 124.03179 119.1
[M+HCOO]- 186.03273 143.8
[M+CH3COO]- 200.04838 172.0
[M+Na-2H]- 162.00920 133.6
[M]+ 141.03398 126.1
[M]- 141.03508 126.1
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