CID 54456

1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC1C2=CC(=C(C=C2CCN1)O)O

InChI

InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3

InChIKey

IBRKLUSXDYATLG-UHFFFAOYSA-N

Compound name

1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 296
References: 362
Patents: 179.09464 Da
Monoisotopic Mass: 1.0
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]+	180.10192	137.6
[M+Na]+	202.08386	149.9
[M+NH4]+	197.12846	145.9
[M+K]+	218.05780	144.2
[M-H]-	178.08736	138.6
[M+Na-2H]-	200.06931	142.1
[M]+	179.09409	139.5
[M]-	179.09519	139.5

Literature stripe

literature stripe

Patent stripe

patents stripe