CID 4914664

2-chloro-6-methoxy-3-methylquinoline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=CC2=C(C=CC(=C2)OC)N=C1Cl
InChI
InChI=1S/C11H10ClNO/c1-7-5-8-6-9(14-2)3-4-10(8)13-11(7)12/h3-6H,1-2H3
InChIKey
TVLTWDTZDXOKCD-UHFFFAOYSA-N
Compound name
2-chloro-6-methoxy-3-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

207.04509 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.052366 140.3
[M+Na]+ 230.034308 152.0
[M-H]- 206.037814 144.1
[M+NH4]+ 225.078913 160.7
[M+K]+ 246.008248 147.4
[M+H-H2O]+ 190.042350 134.5
[M+HCOO]- 252.043291 158.4
[M+CH3COO]- 266.058941 186.6
[M+Na-2H]- 228.019756 148.2
[M]+ 207.04454142 144.9
[M]- 207.04563858 144.9
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