CID 71230590

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

Structural Information

Molecular Formula
C6H12N4O2
SMILES
C(CCN1C(=O)NNC1=O)CN
InChI
InChI=1S/C6H12N4O2/c7-3-1-2-4-10-5(11)8-9-6(10)12/h1-4,7H2,(H,8,11)(H,9,12)
InChIKey
FLTASISYYFWPSE-UHFFFAOYSA-N
Compound name
4-(4-aminobutyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

172.09602 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.10330 135.7
[M+Na]+ 195.08524 144.6
[M+NH4]+ 190.12984 140.4
[M+K]+ 211.05918 142.9
[M-H]- 171.08874 133.2
[M+Na-2H]- 193.07069 138.2
[M]+ 172.09547 135.6
[M]- 172.09657 135.6
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

patents stripe