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
1
Annotation Hits

0
References

16
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 117.6
[M+Na]+ 136.03689 128.1
[M-H]- 112.04040 120.2
[M+NH4]+ 131.08150 139.5
[M+K]+ 152.01083 128.4
[M+H-H2O]+ 96.044936 112.8
[M+HCOO]- 158.04588 141.0
[M+CH3COO]- 172.06153 165.5
[M+Na-2H]- 134.02234 124.7
[M]+ 113.04713 119.7
[M]- 113.04822 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