CID 121602888

4-(2-aminoethyl)-1,2,4-triazolidine-3,5-dione hydrochloride

Structural Information

Molecular Formula
C4H8N4O2
SMILES
C(CN1C(=O)NNC1=O)N
InChI
InChI=1S/C4H8N4O2/c5-1-2-8-3(9)6-7-4(8)10/h1-2,5H2,(H,6,9)(H,7,10)
InChIKey
ZERFZKZLRZTCPN-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.06473 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07201 126.6
[M+Na]+ 167.05395 136.6
[M-H]- 143.05745 124.0
[M+NH4]+ 162.09855 144.2
[M+K]+ 183.02789 133.4
[M+H-H2O]+ 127.06199 119.6
[M+HCOO]- 189.06293 147.7
[M+CH3COO]- 203.07858 168.6
[M+Na-2H]- 165.03940 131.7
[M]+ 144.06418 123.6
[M]- 144.06528 123.6
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.