CID 154699939

Ns00117658

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

CCN1C(=O)N(N=N1)CC=O

InChI

InChI=1S/C5H8N4O2/c1-2-8-5(11)9(3-4-10)7-6-8/h4H,2-3H2,1H3

InChIKey

RWVLUTFSOYZBDA-UHFFFAOYSA-N

Compound name

2-(4-ethyl-5-oxotetrazol-1-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.06473 Da
Monoisotopic Mass: 0.2
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]+	157.07201	131.4
[M+Na]+	179.05395	143.0
[M+NH4]+	174.09855	136.8
[M+K]+	195.02789	140.4
[M-H]-	155.05745	129.1
[M+Na-2H]-	177.03940	135.6
[M]+	156.06418	132.0
[M]-	156.06528	132.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.