CID 70552315

2839051-09-9

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

C1=COC(=N1)NCCO

InChI

InChI=1S/C5H8N2O2/c8-3-1-6-5-7-2-4-9-5/h2,4,8H,1,3H2,(H,6,7)

InChIKey

LEDCSKBMDLMRJG-UHFFFAOYSA-N

Compound name

2-(1,3-oxazol-2-ylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 128.05858 Da
Monoisotopic Mass: 0.0
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	122.4
[M+Na]+	151.047798	130.0
[M-H]-	127.051304	124.0
[M+NH4]+	146.092403	142.5
[M+K]+	167.021738	130.1
[M+H-H2O]+	111.055840	116.2
[M+HCOO]-	173.056781	146.7
[M+CH3COO]-	187.072431	168.1
[M+Na-2H]-	149.033246	131.1
[M]+	128.05803142	122.8
[M]-	128.05912858	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe