CID 11962782

3-(chloromethyl)-5-methylpyridine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

141.03453 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 124.1
[M+Na]+ 164.02375 134.1
[M-H]- 140.02725 126.5
[M+NH4]+ 159.06835 145.6
[M+K]+ 179.99769 130.8
[M+H-H2O]+ 124.03179 118.9
[M+HCOO]- 186.03273 143.4
[M+CH3COO]- 200.04838 173.0
[M+Na-2H]- 162.00920 132.4
[M]+ 141.03398 126.0
[M]- 141.03508 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

literature stripe

Patent stripe

patents stripe