CID 135966759

5-(3-aminopropyl)-2,3-dihydro-1h-1,2,4-triazol-3-one hydrochloride

Structural Information

Molecular Formula
C5H10N4O
SMILES
C(CC1=NNC(=O)N1)CN
InChI
InChI=1S/C5H10N4O/c6-3-1-2-4-7-5(10)9-8-4/h1-3,6H2,(H2,7,8,9,10)
InChIKey
UOIGNSPDMJRTGY-UHFFFAOYSA-N
Compound name
3-(3-aminopropyl)-1,4-dihydro-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.08546 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.09274 128.6
[M+Na]+ 165.07468 137.1
[M-H]- 141.07818 125.4
[M+NH4]+ 160.11928 146.0
[M+K]+ 181.04862 133.8
[M+H-H2O]+ 125.08272 121.2
[M+HCOO]- 187.08366 149.0
[M+CH3COO]- 201.09931 169.1
[M+Na-2H]- 163.06013 133.9
[M]+ 142.08491 124.8
[M]- 142.08601 124.8
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.