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	135.4
[M+Na]+	196.07328	143.7
[M-H]-	172.07678	137.4
[M+NH4]+	191.11788	154.8
[M+K]+	212.04722	140.4
[M+H-H2O]+	156.08132	129.0
[M+HCOO]-	218.08226	155.7
[M+CH3COO]-	232.09791	178.8
[M+Na-2H]-	194.05873	143.6
[M]+	173.08351	134.7
[M]-	173.08461	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe