CID 146309985

Schembl21634568

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

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

InChI

InChI=1S/C5H8N2O2/c8-3-5(9)7-2-1-6-4-7/h1-2,4-5,8-9H,3H2

InChIKey

OWZYDXXHAMTEDN-UHFFFAOYSA-N

Compound name

1-imidazol-1-ylethane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 128.05858 Da
Monoisotopic Mass: -1.3
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]+	129.065856	124.3
[M+Na]+	151.047798	132.1
[M-H]-	127.051304	122.7
[M+NH4]+	146.092403	144.0
[M+K]+	167.021738	131.0
[M+H-H2O]+	111.055840	117.9
[M+HCOO]-	173.056781	144.7
[M+CH3COO]-	187.072431	164.4
[M+Na-2H]-	149.033246	129.9
[M]+	128.05803142	122.9
[M]-	128.05912858	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe