CID 4400704

5-pentyl-2h-tetrazole

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CCCCCC1=NNN=N1

InChI

InChI=1S/C6H12N4/c1-2-3-4-5-6-7-9-10-8-6/h2-5H2,1H3,(H,7,8,9,10)

InChIKey

OKIYPFZZDQLNMP-UHFFFAOYSA-N

Compound name

5-pentyl-2H-tetrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 27
References: 749
Patents: 140.1062 Da
Monoisotopic Mass: 1.7
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]+	141.11348	130.6
[M+Na]+	163.09542	141.5
[M+NH4]+	158.14002	137.1
[M+K]+	179.06936	137.7
[M-H]-	139.09892	129.0
[M+Na-2H]-	161.08087	135.7
[M]+	140.10565	131.3
[M]-	140.10675	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe