CID 343487

3775-61-9

Structural Information

Molecular Formula
C4H7N3O
SMILES
CCC1=NN=C(O1)N
InChI
InChI=1S/C4H7N3O/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey
XHSTYRIUVMKGDX-UHFFFAOYSA-N
Compound name
5-ethyl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

113.058914 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 119.2
[M+Na]+ 136.04813 128.8
[M-H]- 112.05164 120.9
[M+NH4]+ 131.09274 139.5
[M+K]+ 152.02207 129.2
[M+H-H2O]+ 96.056174 112.5
[M+HCOO]- 158.05712 143.2
[M+CH3COO]- 172.07276 168.8
[M+Na-2H]- 134.03358 127.0
[M]+ 113.05837 119.6
[M]- 113.05946 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe