CID 14337883

3-(chloromethyl)-4-methylpyridine hydrochloride

Structural Information

Molecular Formula
C7H8ClN
SMILES
CC1=C(C=NC=C1)CCl
InChI
InChI=1S/C7H8ClN/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,4H2,1H3
InChIKey
MAHKASWECDVEMZ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 124.1
[M+Na]+ 164.023748 134.1
[M-H]- 140.027254 126.5
[M+NH4]+ 159.068353 145.6
[M+K]+ 179.997688 130.8
[M+H-H2O]+ 124.031790 118.9
[M+HCOO]- 186.032731 143.4
[M+CH3COO]- 200.048381 173.0
[M+Na-2H]- 162.009196 132.4
[M]+ 141.03398142 126.0
[M]- 141.03507858 126.0
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