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]+ 173.103296 135.4
[M+Na]+ 195.085238 144.5
[M-H]- 171.088744 132.4
[M+NH4]+ 190.129843 151.8
[M+K]+ 211.059178 140.8
[M+H-H2O]+ 155.093280 128.0
[M+HCOO]- 217.094221 155.8
[M+CH3COO]- 231.109871 174.7
[M+Na-2H]- 193.070686 139.4
[M]+ 172.09547142 133.1
[M]- 172.09656858 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