CID 10640708

1-chloro-6,7-dimethoxyisoquinoline

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
COC1=C(C=C2C(=C1)C=CN=C2Cl)OC
InChI
InChI=1S/C11H10ClNO2/c1-14-9-5-7-3-4-13-11(12)8(7)6-10(9)15-2/h3-6H,1-2H3
InChIKey
MPMDYPSDYGHVBM-UHFFFAOYSA-N
Compound name
1-chloro-6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
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 143.4
[M+Na]+ 246.02923 154.9
[M-H]- 222.03273 147.2
[M+NH4]+ 241.07383 163.0
[M+K]+ 262.00317 150.9
[M+H-H2O]+ 206.03727 137.3
[M+HCOO]- 268.03821 161.7
[M+CH3COO]- 282.05386 188.7
[M+Na-2H]- 244.01468 151.3
[M]+ 223.03946 149.4
[M]- 223.04056 149.4
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