CID 3054062

5-(2-phenoxyethyl)-1h-tetrazole

Structural Information

Molecular Formula

C₉H₁₀N₄O

SMILES

C1=CC=C(C=C1)OCCC2=NNN=N2

InChI

InChI=1S/C9H10N4O/c1-2-4-8(5-3-1)14-7-6-9-10-12-13-11-9/h1-5H,6-7H2,(H,10,11,12,13)

InChIKey

IIBLVCJHTPHJKY-UHFFFAOYSA-N

Compound name

5-(2-phenoxyethyl)-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 190.08546 Da
Monoisotopic Mass: 1.4
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]+	191.09274	139.2
[M+Na]+	213.07468	147.5
[M-H]-	189.07818	139.1
[M+NH4]+	208.11928	153.9
[M+K]+	229.04862	144.0
[M+H-H2O]+	173.08272	129.4
[M+HCOO]-	235.08366	159.3
[M+CH3COO]-	249.09931	151.0
[M+Na-2H]-	211.06013	146.7
[M]+	190.08491	138.8
[M]-	190.08601	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe