CID 81908187

1955520-92-9

Structural Information

Molecular Formula

C₅H₁₀N₄O

SMILES

CC(C1=NNC(=O)N1C)N

InChI

InChI=1S/C5H10N4O/c1-3(6)4-7-8-5(10)9(4)2/h3H,6H2,1-2H3,(H,8,10)

InChIKey

DTRBUPYMJCJJPE-UHFFFAOYSA-N

Compound name

3-(1-aminoethyl)-4-methyl-1H-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: -1.1
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]+	143.09274	128.3
[M+Na]+	165.07468	138.1
[M+NH4]+	160.11928	134.3
[M+K]+	181.04862	136.7
[M-H]-	141.07818	126.9
[M+Na-2H]-	163.06013	131.9
[M]+	142.08491	128.8
[M]-	142.08601	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.