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]+ 114.05495 117.3
[M+Na]+ 136.03689 127.5
[M-H]- 112.04040 120.9
[M+NH4]+ 131.08150 139.7
[M+K]+ 152.01083 128.3
[M+H-H2O]+ 96.044936 112.4
[M+HCOO]- 158.04588 140.9
[M+CH3COO]- 172.06153 167.6
[M+Na-2H]- 134.02234 124.0
[M]+ 113.04713 119.1
[M]- 113.04822 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.