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]+ 129.07709 122.8
[M+Na]+ 151.05903 133.6
[M-H]- 127.06253 122.9
[M+NH4]+ 146.10363 142.6
[M+K]+ 167.03297 132.3
[M+H-H2O]+ 111.06707 115.5
[M+HCOO]- 173.06801 146.6
[M+CH3COO]- 187.08366 172.2
[M+Na-2H]- 149.04448 129.0
[M]+ 128.06926 122.8
[M]- 128.07036 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.