CID 544116

3,4-dimethyl-4,5-dihydro-1,2-oxazol-5-one

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1C(=NOC1=O)C
InChI
InChI=1S/C5H7NO2/c1-3-4(2)6-8-5(3)7/h3H,1-2H3
InChIKey
UYYXCVRLRKSYAA-UHFFFAOYSA-N
Compound name
3,4-dimethyl-4H-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.047676 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 117.3
[M+Na]+ 136.036894 127.5
[M-H]- 112.040400 120.9
[M+NH4]+ 131.081499 139.7
[M+K]+ 152.010834 128.3
[M+H-H2O]+ 96.044936 112.4
[M+HCOO]- 158.045877 140.9
[M+CH3COO]- 172.061527 167.6
[M+Na-2H]- 134.022342 124.0
[M]+ 113.04712742 119.1
[M]- 113.04822458 119.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.