CID 14362260

1-(pyrazin-2-yl)ethane-1,2-diol

Structural Information

Molecular Formula

C₆H₈N₂O₂

SMILES

C1=CN=C(C=N1)C(CO)O

InChI

InChI=1S/C6H8N2O2/c9-4-6(10)5-3-7-1-2-8-5/h1-3,6,9-10H,4H2

InChIKey

DSYZOEMHANKOOZ-UHFFFAOYSA-N

Compound name

1-pyrazin-2-ylethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.05858 Da
Monoisotopic Mass: -1.7
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]+	141.065856	127.1
[M+Na]+	163.047798	134.6
[M-H]-	139.051304	125.4
[M+NH4]+	158.092403	144.5
[M+K]+	179.021738	132.9
[M+H-H2O]+	123.055840	120.4
[M+HCOO]-	185.056781	146.5
[M+CH3COO]-	199.072431	167.3
[M+Na-2H]-	161.033246	134.8
[M]+	140.05803142	125.4
[M]-	140.05912858	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe