CID 12235074

58910-25-1

Structural Information

Molecular Formula
C5H9N3O
SMILES
CCN1C(=NNC1=O)C
InChI
InChI=1S/C5H9N3O/c1-3-8-4(2)6-7-5(8)9/h3H2,1-2H3,(H,7,9)
InChIKey
GROINEYGPPQQDZ-UHFFFAOYSA-N
Compound name
4-ethyl-3-methyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

127.07456 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.08184 124.8
[M+Na]+ 150.06378 136.6
[M+NH4]+ 145.10838 131.6
[M+K]+ 166.03772 133.6
[M-H]- 126.06728 123.6
[M+Na-2H]- 148.04923 129.5
[M]+ 127.07401 125.8
[M]- 127.07511 125.8
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