CID 12243911

3-chloro-6,7-dimethoxyisoquinoline

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=C(C=C2C=NC(=CC2=C1)Cl)OC
InChI
InChI=1S/C11H10ClNO2/c1-14-9-3-7-5-11(12)13-6-8(7)4-10(9)15-2/h3-6H,1-2H3
InChIKey
UHNYGOXREGUUGH-UHFFFAOYSA-N
Compound name
3-chloro-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04001 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 143.3
[M+Na]+ 246.02923 159.8
[M+NH4]+ 241.07383 152.9
[M+K]+ 262.00317 151.6
[M-H]- 222.03273 146.3
[M+Na-2H]- 244.01468 151.3
[M]+ 223.03946 147.0
[M]- 223.04056 147.0
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

No patent data available for this compound.