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

8
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 135.4
[M+Na]+ 195.08524 144.5
[M-H]- 171.08874 132.4
[M+NH4]+ 190.12984 151.8
[M+K]+ 211.05918 140.8
[M+H-H2O]+ 155.09328 128.0
[M+HCOO]- 217.09422 155.8
[M+CH3COO]- 231.10987 174.7
[M+Na-2H]- 193.07069 139.4
[M]+ 172.09547 133.1
[M]- 172.09657 133.1
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