CID 193602

24474-93-9

Structural Information

Molecular Formula

SMILES

CC1=NCC(=O)O1

InChI

InChI=1S/C4H5NO2/c1-3-5-2-4(6)7-3/h2H2,1H3

InChIKey

WKIXQUMETCNZKK-UHFFFAOYSA-N

Compound name

2-methyl-4H-1,3-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 101
Patents: 99.03203 Da
Monoisotopic Mass: -0.2
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]+	100.039306	113.2
[M+Na]+	122.021248	122.9
[M-H]-	98.024754	116.6
[M+NH4]+	117.065853	135.8
[M+K]+	137.995188	124.0
[M+H-H2O]+	82.029290	108.1
[M+HCOO]-	144.030231	137.1
[M+CH3COO]-	158.045881	163.5
[M+Na-2H]-	120.006696	121.0
[M]+	99.03148142	114.2
[M]-	99.03257858	114.2

Literature stripe

literature stripe

Patent stripe

patents stripe