CID 82575882

1-(isoquinolin-8-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

CC(C1=CC=CC2=C1C=NC=C2)O

InChI

InChI=1S/C11H11NO/c1-8(13)10-4-2-3-9-5-6-12-7-11(9)10/h2-8,13H,1H3

InChIKey

XJHWVKVPOQCBOW-UHFFFAOYSA-N

Compound name

1-isoquinolin-8-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 173.08406 Da
Monoisotopic Mass: 1.6
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]+	174.09134	135.7
[M+Na]+	196.07328	150.1
[M+NH4]+	191.11788	145.1
[M+K]+	212.04722	143.1
[M-H]-	172.07678	138.3
[M+Na-2H]-	194.05873	143.5
[M]+	173.08351	138.6
[M]-	173.08461	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe