CID 206247

1h-tetrazole, 5-cyclohexyl-1-methyl-

Structural Information

Molecular Formula

C₈H₁₄N₄

SMILES

CN1C(=NN=N1)C2CCCCC2

InChI

InChI=1S/C8H14N4/c1-12-8(9-10-11-12)7-5-3-2-4-6-7/h7H,2-6H2,1H3

InChIKey

NHOCIKGCQZOHNI-UHFFFAOYSA-N

Compound name

5-cyclohexyl-1-methyltetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 166.12184 Da
Monoisotopic Mass: 1.8
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]+	167.12912	137.7
[M+Na]+	189.11106	149.5
[M+NH4]+	184.15566	145.4
[M+K]+	205.08500	145.2
[M-H]-	165.11456	139.0
[M+Na-2H]-	187.09651	144.2
[M]+	166.12129	139.5
[M]-	166.12239	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe