CID 154699959

Ns00117677

Structural Information

Molecular Formula

C₉H₁₇N₃O

SMILES

CCCN1C(=O)N(C(=N1)CC)CC

InChI

InChI=1S/C9H17N3O/c1-4-7-12-9(13)11(6-3)8(5-2)10-12/h4-7H2,1-3H3

InChIKey

SLLRYCOTOHVHSM-UHFFFAOYSA-N

Compound name

4,5-diethyl-2-propyl-1,2,4-triazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.13716 Da
Monoisotopic Mass: 1.3
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]+	184.14444	142.0
[M+Na]+	206.12638	153.9
[M+NH4]+	201.17098	148.5
[M+K]+	222.10032	149.8
[M-H]-	182.12988	141.2
[M+Na-2H]-	204.11183	146.1
[M]+	183.13661	143.2
[M]-	183.13771	143.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.