CID 20725

6,7-dimethoxy-1-methylisoquinoline

Structural Information

Molecular Formula
C12H13NO2
SMILES
CC1=NC=CC2=CC(=C(C=C12)OC)OC
InChI
InChI=1S/C12H13NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-7H,1-3H3
InChIKey
VBMZFACBWDZUSM-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methylisoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

60
Patents

203.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 142.3
[M+Na]+ 226.08386 152.7
[M-H]- 202.08736 146.3
[M+NH4]+ 221.12846 161.9
[M+K]+ 242.05780 150.2
[M+H-H2O]+ 186.09190 135.5
[M+HCOO]- 248.09284 165.0
[M+CH3COO]- 262.10849 187.9
[M+Na-2H]- 224.06931 150.2
[M]+ 203.09409 146.7
[M]- 203.09519 146.7
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