CID 58001925

13054-62-1

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC1=C(C(=NO1)C)O
InChI
InChI=1S/C5H7NO2/c1-3-5(7)4(2)8-6-3/h7H,1-2H3
InChIKey
WESPSRWVKAUXKP-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,2-oxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

113.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 117.6
[M+Na]+ 136.036894 128.1
[M-H]- 112.040400 120.2
[M+NH4]+ 131.081499 139.5
[M+K]+ 152.010834 128.4
[M+H-H2O]+ 96.044936 112.8
[M+HCOO]- 158.045877 141.0
[M+CH3COO]- 172.061527 165.5
[M+Na-2H]- 134.022342 124.7
[M]+ 113.04712742 119.7
[M]- 113.04822458 119.7
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