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

2
Annotation Hits: 14
References: 784
Patents: 207.08954 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	208.09682	142.8
[M+Na]+	230.07876	155.3
[M+NH4]+	225.12336	151.8
[M+K]+	246.05270	152.0
[M-H]-	206.08226	147.0
[M+Na-2H]-	228.06421	145.3
[M]+	207.08899	145.8
[M]-	207.09009	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe