CID 12243109

1-(isoquinolin-1-yl)ethan-1-amine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂

SMILES

CC(C1=NC=CC2=CC=CC=C21)N

InChI

InChI=1S/C11H12N2/c1-8(12)11-10-5-3-2-4-9(10)6-7-13-11/h2-8H,12H2,1H3

InChIKey

OQHHJZSNZSTOQC-UHFFFAOYSA-N

Compound name

1-isoquinolin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 172.10005 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]+	173.107326	136.1
[M+Na]+	195.089268	144.1
[M-H]-	171.092774	139.0
[M+NH4]+	190.133873	155.8
[M+K]+	211.063208	140.7
[M+H-H2O]+	155.097310	129.3
[M+HCOO]-	217.098251	158.1
[M+CH3COO]-	231.113901	149.2
[M+Na-2H]-	193.074716	144.1
[M]+	172.09950142	134.1
[M]-	172.10059858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe