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

9
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 138.3
[M+Na]+ 226.04746 148.6
[M-H]- 202.05096 144.2
[M+NH4]+ 221.09206 157.5
[M+K]+ 242.02140 148.4
[M+H-H2O]+ 186.05550 132.2
[M+HCOO]- 248.05644 158.7
[M+CH3COO]- 262.07209 152.7
[M+Na-2H]- 224.03291 147.9
[M]+ 203.05769 142.6
[M]- 203.05879 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