CID 53943526

5-methyl-1,2-oxazol-4-ol

Structural Information

Molecular Formula
C4H5NO2
SMILES
CC1=C(C=NO1)O
InChI
InChI=1S/C4H5NO2/c1-3-4(6)2-5-7-3/h2,6H,1H3
InChIKey
CRSBXLSJEYWGBF-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

99.03203 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.03931 113.3
[M+Na]+ 122.02125 123.3
[M-H]- 98.024754 115.7
[M+NH4]+ 117.06585 135.4
[M+K]+ 137.99519 123.9
[M+H-H2O]+ 82.029290 108.4
[M+HCOO]- 144.03023 137.0
[M+CH3COO]- 158.04588 161.3
[M+Na-2H]- 120.00670 121.7
[M]+ 99.031481 114.6
[M]- 99.032579 114.6
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