CID 53408838

1147998-45-5

Structural Information

Molecular Formula

C₆H₈ClN₃O

SMILES

C1=C(N=C(C=N1)Cl)NCCO

InChI

InChI=1S/C6H8ClN3O/c7-5-3-8-4-6(10-5)9-1-2-11/h3-4,11H,1-2H2,(H,9,10)

InChIKey

WIGSLNQMPPNMMO-UHFFFAOYSA-N

Compound name

2-[(6-chloropyrazin-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 173.03558 Da
Monoisotopic Mass: 0.4
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]+	174.04286	132.2
[M+Na]+	196.02480	141.2
[M-H]-	172.02830	131.8
[M+NH4]+	191.06940	149.8
[M+K]+	211.99874	137.4
[M+H-H2O]+	156.03284	125.7
[M+HCOO]-	218.03378	150.2
[M+CH3COO]-	232.04943	176.8
[M+Na-2H]-	194.01025	140.7
[M]+	173.03503	133.0
[M]-	173.03613	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe