CID 279305

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

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1=C(OC(=O)N1)C
InChI
InChI=1S/C5H7NO2/c1-3-4(2)8-5(7)6-3/h1-2H3,(H,6,7)
InChIKey
XFHVEEHRWSWVGA-UHFFFAOYSA-N
Compound name
4,5-dimethyl-3H-1,3-oxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

113.047676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 116.8
[M+Na]+ 136.03689 127.6
[M-H]- 112.04040 119.4
[M+NH4]+ 131.08150 138.6
[M+K]+ 152.01083 127.2
[M+H-H2O]+ 96.044936 112.0
[M+HCOO]- 158.04588 140.3
[M+CH3COO]- 172.06153 164.7
[M+Na-2H]- 134.02234 123.9
[M]+ 113.04713 118.1
[M]- 113.04822 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe