CID 23008907

6-methoxy-1,2,3,4-tetrahydroquinolin-4-ol

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

COC1=CC2=C(C=C1)NCCC2O

InChI

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

InChIKey

HDKOHPPRCQYVJA-UHFFFAOYSA-N

Compound name

6-methoxy-1,2,3,4-tetrahydroquinolin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.09464 Da
Monoisotopic Mass: 1.2
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	144.7
[M-H]-	178.087364	137.7
[M+NH4]+	197.128463	156.0
[M+K]+	218.057798	141.3
[M+H-H2O]+	162.091900	131.3
[M+HCOO]-	224.092841	154.7
[M+CH3COO]-	238.108491	176.3
[M+Na-2H]-	200.069306	144.0
[M]+	179.09409142	134.0
[M]-	179.09518858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.