CID 76546

3099-30-7

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

508
Patents

141.03453 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 124.5
[M+Na]+ 164.02375 139.9
[M+NH4]+ 159.06835 134.6
[M+K]+ 179.99769 131.9
[M-H]- 140.02725 127.3
[M+Na-2H]- 162.00920 133.4
[M]+ 141.03398 127.9
[M]- 141.03508 127.9
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