CID 3638

1,3-dioxolo[4,5-g]isoquinolin-5-ol, 5,6,7,8-tetrahydro-6-methyl-

Structural Information

Molecular Formula
C11H13NO3
SMILES
CN1CCC2=CC3=C(C=C2C1O)OCO3
InChI
InChI=1S/C11H13NO3/c1-12-3-2-7-4-9-10(15-6-14-9)5-8(7)11(12)13/h4-5,11,13H,2-3,6H2,1H3
InChIKey
YOJQZPVUNUQTDF-UHFFFAOYSA-N
Compound name
6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

18
References

909
Patents

207.08954 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 142.1
[M+Na]+ 230.07876 150.8
[M-H]- 206.08226 146.2
[M+NH4]+ 225.12336 160.6
[M+K]+ 246.05270 150.0
[M+H-H2O]+ 190.08680 136.5
[M+HCOO]- 252.08774 158.0
[M+CH3COO]- 266.10339 155.0
[M+Na-2H]- 228.06421 148.6
[M]+ 207.08899 142.2
[M]- 207.09009 142.2
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