CID 11344293

2h,7h,8h-[1,3]dioxolo[4,5-g]isoquinoline

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1CN=CC2=CC3=C(C=C21)OCO3
InChI
InChI=1S/C10H9NO2/c1-2-11-5-8-4-10-9(3-7(1)8)12-6-13-10/h3-5H,1-2,6H2
InChIKey
KXWLFPPSOCSXPZ-UHFFFAOYSA-N
Compound name
7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

175.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 131.5
[M+Na]+ 198.05254 140.4
[M-H]- 174.05604 136.7
[M+NH4]+ 193.09714 151.6
[M+K]+ 214.02648 140.1
[M+H-H2O]+ 158.06058 125.4
[M+HCOO]- 220.06152 150.7
[M+CH3COO]- 234.07717 145.6
[M+Na-2H]- 196.03799 141.3
[M]+ 175.06277 132.2
[M]- 175.06387 132.2
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