CID 135742573

879635-12-8

Structural Information

Molecular Formula
C4H8N4O
SMILES
CC(C1=NNC(=O)N1)N
InChI
InChI=1S/C4H8N4O/c1-2(5)3-6-4(9)8-7-3/h2H,5H2,1H3,(H2,6,7,8,9)
InChIKey
PBKRNEMONDWDIV-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.06981 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.077086 124.9
[M+Na]+ 151.059028 133.6
[M-H]- 127.062534 122.1
[M+NH4]+ 146.103633 142.9
[M+K]+ 167.032968 131.0
[M+H-H2O]+ 111.067070 117.8
[M+HCOO]- 173.068011 144.7
[M+CH3COO]- 187.083661 166.9
[M+Na-2H]- 149.044476 129.6
[M]+ 128.06926142 120.2
[M]- 128.07035858 120.2
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.