CID 543616

13616-37-0

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

CCOC(=O)CC1=NNN=N1

InChI

InChI=1S/C5H8N4O2/c1-2-11-5(10)3-4-6-8-9-7-4/h2-3H2,1H3,(H,6,7,8,9)

InChIKey

NAOHMNNTUFFTBF-UHFFFAOYSA-N

Compound name

ethyl 2-(2H-tetrazol-5-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 296
Patents: 156.06473 Da
Monoisotopic Mass: -0.3
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]+	157.07201	132.0
[M+Na]+	179.05395	141.9
[M+NH4]+	174.09855	137.2
[M+K]+	195.02789	140.2
[M-H]-	155.05745	129.1
[M+Na-2H]-	177.03940	136.0
[M]+	156.06418	132.1
[M]-	156.06528	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe