CID 58001925

3,5-dimethylisoxazol-4-ol

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
1
Annotation Hits

0
References

9
Patents

113.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 118.5
[M+Na]+ 136.03689 130.7
[M+NH4]+ 131.08150 126.7
[M+K]+ 152.01083 128.2
[M-H]- 112.04040 120.1
[M+Na-2H]- 134.02234 123.5
[M]+ 113.04713 120.6
[M]- 113.04822 120.6
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