CID 24781

Hymexazol

Structural Information

Molecular Formula
C4H5NO2
SMILES
CC1=CC(=O)NO1
InChI
InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)
InChIKey
KGVPNLBXJKTABS-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

35475
Patents

99.03203 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03931 112.6
[M+Na]+ 122.02125 122.9
[M-H]- 98.024754 114.9
[M+NH4]+ 117.06585 134.6
[M+K]+ 137.99519 122.8
[M+H-H2O]+ 82.029290 107.7
[M+HCOO]- 144.03023 136.4
[M+CH3COO]- 158.04588 160.5
[M+Na-2H]- 120.00670 120.9
[M]+ 99.031481 113.1
[M]- 99.032579 113.1
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

No patent data available for this compound.