CID 119031762

4-amino-1-ethyl-4,5-dihydro-1h-1,2,4-triazol-5-one

Structural Information

Molecular Formula
C4H8N4O
SMILES
CCN1C(=O)N(C=N1)N
InChI
InChI=1S/C4H8N4O/c1-2-8-4(9)7(5)3-6-8/h3H,2,5H2,1H3
InChIKey
QPBCGWKNLXUFTF-UHFFFAOYSA-N
Compound name
4-amino-2-ethyl-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.06981 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 122.8
[M+Na]+ 151.059028 133.6
[M-H]- 127.062534 122.9
[M+NH4]+ 146.103633 142.6
[M+K]+ 167.032968 132.3
[M+H-H2O]+ 111.067070 115.5
[M+HCOO]- 173.068011 146.6
[M+CH3COO]- 187.083661 172.2
[M+Na-2H]- 149.044476 129.0
[M]+ 128.06926142 122.8
[M]- 128.07035858 122.8
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

No patent data available for this compound.