CID 6365123

Hexyl nitrite

Structural Information

Molecular Formula

C₆H₁₃NO₂

SMILES

CCCCCCON=O

InChI

InChI=1S/C6H13NO2/c1-2-3-4-5-6-9-7-8/h2-6H2,1H3

InChIKey

SGRWGISGVDVSJV-UHFFFAOYSA-N

Compound name

hexyl nitrite

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 305
Patents: 131.09464 Da
Monoisotopic Mass: 2.4
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]+	132.101916	126.4
[M+Na]+	154.083858	133.4
[M-H]-	130.087364	128.0
[M+NH4]+	149.128463	148.9
[M+K]+	170.057798	134.5
[M+H-H2O]+	114.091900	121.2
[M+HCOO]-	176.092841	153.4
[M+CH3COO]-	190.108491	177.8
[M+Na-2H]-	152.069306	134.3
[M]+	131.09409142	131.0
[M]-	131.09518858	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe