CID 1580094

55687-07-5

Structural Information

Molecular Formula

C₁₀H₁₀ClN₃O

SMILES

C1=CC=C2C(=C1)N=C(C(=N2)Cl)NCCO

InChI

InChI=1S/C10H10ClN3O/c11-9-10(12-5-6-15)14-8-4-2-1-3-7(8)13-9/h1-4,15H,5-6H2,(H,12,14)

InChIKey

GNQMYLLXURWBSI-UHFFFAOYSA-N

Compound name

2-[(3-chloroquinoxalin-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 223.05124 Da
Monoisotopic Mass: 1.8
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]+	224.05852	144.8
[M+Na]+	246.04046	154.5
[M-H]-	222.04396	145.3
[M+NH4]+	241.08506	161.6
[M+K]+	262.01440	149.1
[M+H-H2O]+	206.04850	137.8
[M+HCOO]-	268.04944	161.4
[M+CH3COO]-	282.06509	156.9
[M+Na-2H]-	244.02591	153.9
[M]+	223.05069	146.5
[M]-	223.05179	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe