CID 20298886

88511-38-0

Structural Information

Molecular Formula

SMILES

CC(=O)C1=CC=NO1

InChI

InChI=1S/C5H5NO2/c1-4(7)5-2-3-6-8-5/h2-3H,1H3

InChIKey

GKUBGXGRJNAABQ-UHFFFAOYSA-N

Compound name

1-(1,2-oxazol-5-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 319
Patents: 111.03203 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]+	112.039306	117.0
[M+Na]+	134.021248	126.1
[M-H]-	110.024754	120.3
[M+NH4]+	129.065853	138.9
[M+K]+	149.995188	127.2
[M+H-H2O]+	94.029290	111.5
[M+HCOO]-	156.030231	141.1
[M+CH3COO]-	170.045881	165.9
[M+Na-2H]-	132.006696	124.7
[M]+	111.03148142	118.8
[M]-	111.03257858	118.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe