CID 66723433

1000045-81-7

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

C1CC2=C(C=C(C=C2)CO)NC1

InChI

InChI=1S/C10H13NO/c12-7-8-3-4-9-2-1-5-11-10(9)6-8/h3-4,6,11-12H,1-2,5,7H2

InChIKey

CTRBFJUGIGJMCH-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydroquinolin-7-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 163.09972 Da
Monoisotopic Mass: 1.4
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]+	164.10700	134.2
[M+Na]+	186.08894	140.7
[M-H]-	162.09244	134.1
[M+NH4]+	181.13354	153.2
[M+K]+	202.06288	136.7
[M+H-H2O]+	146.09698	128.1
[M+HCOO]-	208.09792	151.4
[M+CH3COO]-	222.11357	145.9
[M+Na-2H]-	184.07439	141.6
[M]+	163.09917	129.0
[M]-	163.10027	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe