CID 42158

Dtxsid90972646

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CN1CC(C2=C(C1)C=CC(=C2)O)O

InChI

InChI=1S/C10H13NO2/c1-11-5-7-2-3-8(12)4-9(7)10(13)6-11/h2-4,10,12-13H,5-6H2,1H3

InChIKey

GXNCQQCQUUCKLX-UHFFFAOYSA-N

Compound name

2-methyl-3,4-dihydro-1H-isoquinoline-4,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 179.09464 Da
Monoisotopic Mass: 0.3
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]+	180.101916	137.4
[M+Na]+	202.083858	145.7
[M-H]-	178.087364	138.2
[M+NH4]+	197.128463	156.4
[M+K]+	218.057798	142.4
[M+H-H2O]+	162.091900	131.6
[M+HCOO]-	224.092841	154.8
[M+CH3COO]-	238.108491	177.5
[M+Na-2H]-	200.069306	143.3
[M]+	179.09409142	134.5
[M]-	179.09518858	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe