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: 1
Patents: 142.08546 Da
Monoisotopic Mass: -1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.092736	128.6
[M+Na]+	165.074678	137.1
[M-H]-	141.078184	125.4
[M+NH4]+	160.119283	146.0
[M+K]+	181.048618	133.8
[M+H-H2O]+	125.082720	121.2
[M+HCOO]-	187.083661	149.0
[M+CH3COO]-	201.099311	169.1
[M+Na-2H]-	163.060126	133.9
[M]+	142.08491142	124.8
[M]-	142.08600858	124.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe