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

13
References

21753
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 114.2
[M+Na]+ 122.02125 126.2
[M+NH4]+ 117.06585 122.2
[M+K]+ 137.99519 123.6
[M-H]- 98.024754 115.5
[M+Na-2H]- 120.00670 119.5
[M]+ 99.031481 116.0
[M]- 99.032579 116.0
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

patents stripe