CID 21336

4-methoxy-1,3-dioxolo(4,5-g)isoquinoline hydrochloride

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=C2C=NC=CC2=CC3=C1OCO3
InChI
InChI=1S/C11H9NO3/c1-13-10-8-5-12-3-2-7(8)4-9-11(10)15-6-14-9/h2-5H,6H2,1H3
InChIKey
DYHYOYFSCMNDMX-UHFFFAOYSA-N
Compound name
4-methoxy-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.065516 138.3
[M+Na]+ 226.047458 148.6
[M-H]- 202.050964 144.2
[M+NH4]+ 221.092063 157.5
[M+K]+ 242.021398 148.4
[M+H-H2O]+ 186.055500 132.2
[M+HCOO]- 248.056441 158.7
[M+CH3COO]- 262.072091 152.7
[M+Na-2H]- 224.032906 147.9
[M]+ 203.05769142 142.6
[M]- 203.05878858 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

No literature data available for this compound.

Patent stripe

patents stripe