CID 177578

6,7-dimethoxyisoquinoline

Structural Information

Molecular Formula
C11H11NO2
SMILES
COC1=C(C=C2C=NC=CC2=C1)OC
InChI
InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3
InChIKey
JAJVYESKUNMYPN-UHFFFAOYSA-N
Compound name
6,7-dimethoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

227
Patents

189.07898 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 137.8
[M+Na]+ 212.06820 147.6
[M-H]- 188.07170 141.5
[M+NH4]+ 207.11280 157.6
[M+K]+ 228.04214 145.4
[M+H-H2O]+ 172.07624 130.9
[M+HCOO]- 234.07718 160.8
[M+CH3COO]- 248.09283 183.7
[M+Na-2H]- 210.05365 146.9
[M]+ 189.07843 141.4
[M]- 189.07953 141.4
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