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]+ 145.072006 126.6
[M+Na]+ 167.053948 136.6
[M-H]- 143.057454 124.0
[M+NH4]+ 162.098553 144.2
[M+K]+ 183.027888 133.4
[M+H-H2O]+ 127.061990 119.6
[M+HCOO]- 189.062931 147.7
[M+CH3COO]- 203.078581 168.6
[M+Na-2H]- 165.039396 131.7
[M]+ 144.06418142 123.6
[M]- 144.06527858 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.