CID 30058

6,7-dimethoxy-3,4-dihydroisoquinoline

Structural Information

Molecular Formula
C11H13NO2
SMILES
COC1=C(C=C2C=NCCC2=C1)OC
InChI
InChI=1S/C11H13NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-7H,3-4H2,1-2H3
InChIKey
NSLJVQUDZCZJLK-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3,4-dihydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

388
Patents

191.09464 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 139.7
[M+Na]+ 214.08386 154.0
[M+NH4]+ 209.12846 149.0
[M+K]+ 230.05780 146.7
[M-H]- 190.08736 142.4
[M+Na-2H]- 212.06931 146.9
[M]+ 191.09409 142.6
[M]- 191.09519 142.6
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