CID 206250

1-cyclohexyl-5-ethyl-1h-tetrazole

Structural Information

Molecular Formula

C₉H₁₆N₄

SMILES

CCC1=NN=NN1C2CCCCC2

InChI

InChI=1S/C9H16N4/c1-2-9-10-11-12-13(9)8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChIKey

YEZHWPUHDLFLLW-UHFFFAOYSA-N

Compound name

1-cyclohexyl-5-ethyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 180.1375 Da
Monoisotopic Mass: 2.1
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]+	181.14478	142.1
[M+Na]+	203.12672	148.6
[M-H]-	179.13022	142.5
[M+NH4]+	198.17132	158.0
[M+K]+	219.10066	146.3
[M+H-H2O]+	163.13476	132.1
[M+HCOO]-	225.13570	159.1
[M+CH3COO]-	239.15135	153.2
[M+Na-2H]-	201.11217	145.9
[M]+	180.13695	138.2
[M]-	180.13805	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe