CID 3638

Hydrastinine

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

891
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.