CID 14415264

26240-90-4

Structural Information

Molecular Formula

C₅H₈N₄O₂

SMILES

CCOC(=O)CN1C=NN=N1

InChI

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

InChIKey

XEMPQKCXNIIWSS-UHFFFAOYSA-N

Compound name

ethyl 2-(tetrazol-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 156.06473 Da
Monoisotopic Mass: 0.0
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]+	157.072006	130.4
[M+Na]+	179.053948	139.5
[M-H]-	155.057454	128.8
[M+NH4]+	174.098553	147.6
[M+K]+	195.027888	139.3
[M+H-H2O]+	139.061990	121.8
[M+HCOO]-	201.062931	151.3
[M+CH3COO]-	215.078581	174.0
[M+Na-2H]-	177.039396	136.9
[M]+	156.06418142	133.0
[M]-	156.06527858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe