CID 53643410

5-methyl-1,3-oxazol-4-ol

Structural Information

Molecular Formula
C4H5NO2
SMILES
CC1=C(N=CO1)O
InChI
InChI=1S/C4H5NO2/c1-3-4(6)5-2-7-3/h2,6H,1H3
InChIKey
REUUWSBCFMUSKL-UHFFFAOYSA-N
Compound name
5-methyl-1,3-oxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

99.03203 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.039306 113.3
[M+Na]+ 122.021248 123.3
[M-H]- 98.024754 115.7
[M+NH4]+ 117.065853 135.4
[M+K]+ 137.995188 123.9
[M+H-H2O]+ 82.029290 108.4
[M+HCOO]- 144.030231 137.0
[M+CH3COO]- 158.045881 161.3
[M+Na-2H]- 120.006696 121.7
[M]+ 99.03148142 114.6
[M]- 99.03257858 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

No patent data available for this compound.