CID 3070965

87203-96-1

Structural Information

Molecular Formula

C₁₆H₁₇NO₂

SMILES

CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3CN2)O)O

InChI

InChI=1S/C16H17NO2/c1-10-2-4-11(5-3-10)14-6-12-7-15(18)16(19)8-13(12)9-17-14/h2-5,7-8,14,17-19H,6,9H2,1H3

InChIKey

ADZWPLBRSZUUJP-UHFFFAOYSA-N

Compound name

3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 255.12593 Da
Monoisotopic Mass: 2.5
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]+	256.133206	158.9
[M+Na]+	278.115148	166.3
[M-H]-	254.118654	161.2
[M+NH4]+	273.159753	173.7
[M+K]+	294.089088	160.0
[M+H-H2O]+	238.123190	151.5
[M+HCOO]-	300.124131	174.0
[M+CH3COO]-	314.139781	169.2
[M+Na-2H]-	276.100596	162.9
[M]+	255.12538142	154.0
[M]-	255.12647858	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.