CID 610114

4-chloro-6-methoxy-2-methylquinoline

Structural Information

Molecular Formula
C11H10ClNO
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)Cl
InChI
InChI=1S/C11H10ClNO/c1-7-5-10(12)9-6-8(14-2)3-4-11(9)13-7/h3-6H,1-2H3
InChIKey
WABDZSKKLDCIRM-UHFFFAOYSA-N
Compound name
4-chloro-6-methoxy-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

207.04509 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05237 140.3
[M+Na]+ 230.03431 152.0
[M-H]- 206.03781 144.1
[M+NH4]+ 225.07891 160.7
[M+K]+ 246.00825 147.4
[M+H-H2O]+ 190.04235 134.5
[M+HCOO]- 252.04329 158.4
[M+CH3COO]- 266.05894 186.6
[M+Na-2H]- 228.01976 148.2
[M]+ 207.04454 144.9
[M]- 207.04564 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

literature stripe

Patent stripe

patents stripe