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

100
Patents

114.04293 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 117.3
[M+Na]+ 137.03215 127.6
[M-H]- 113.03565 118.2
[M+NH4]+ 132.07675 137.4
[M+K]+ 153.00609 127.4
[M+H-H2O]+ 97.040190 111.3
[M+HCOO]- 159.04113 139.8
[M+CH3COO]- 173.05678 163.3
[M+Na-2H]- 135.01760 125.3
[M]+ 114.04238 118.4
[M]- 114.04348 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