CID 11535719

4-(chloromethyl)-2-methylquinoline

Structural Information

Molecular Formula
C11H10ClN
SMILES
CC1=NC2=CC=CC=C2C(=C1)CCl
InChI
InChI=1S/C11H10ClN/c1-8-6-9(7-12)10-4-2-3-5-11(10)13-8/h2-6H,7H2,1H3
InChIKey
GRCWGPJQMVGBNY-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

191.05017 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05745 137.3
[M+Na]+ 214.03939 148.1
[M-H]- 190.04289 140.6
[M+NH4]+ 209.08399 158.0
[M+K]+ 230.01333 142.9
[M+H-H2O]+ 174.04743 131.4
[M+HCOO]- 236.04837 155.2
[M+CH3COO]- 250.06402 151.2
[M+Na-2H]- 212.02484 145.9
[M]+ 191.04962 140.0
[M]- 191.05072 140.0
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