CID 14366068

5-ethyl-1,3,4-oxadiazol-2-ol

Structural Information

Molecular Formula
C4H6N2O2
SMILES
CCC1=NNC(=O)O1
InChI
InChI=1S/C4H6N2O2/c1-2-3-5-6-4(7)8-3/h2H2,1H3,(H,6,7)
InChIKey
FOOOCOAXYKESPO-UHFFFAOYSA-N
Compound name
5-ethyl-3H-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

114.04293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.050206 117.3
[M+Na]+ 137.032148 127.6
[M-H]- 113.035654 118.2
[M+NH4]+ 132.076753 137.4
[M+K]+ 153.006088 127.4
[M+H-H2O]+ 97.040190 111.3
[M+HCOO]- 159.041131 139.8
[M+CH3COO]- 173.056781 163.3
[M+Na-2H]- 135.017596 125.3
[M]+ 114.04238142 118.4
[M]- 114.04347858 118.4
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