CID 8058

Hexane

Structural Information

Molecular Formula

C₆H₁₄

SMILES

CCCCCC

InChI

InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

InChIKey

VLKZOEOYAKHREP-UHFFFAOYSA-N

Compound name

hexane

Related CIDs

2D Structure

compound 2d structure

10
Annotation Hits: 9795
References: 210399
Patents: 86.10955 Da
Monoisotopic Mass: 3.9
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]+	87.116826	117.6
[M+Na]+	109.09877	129.2
[M+NH4]+	104.14337	127.1
[M+K]+	125.07271	122.3
[M-H]-	85.102274	118.4
[M+Na-2H]-	107.08422	123.0
[M]+	86.109001	119.5
[M]-	86.110099	119.5

Literature stripe

literature stripe

Patent stripe

patents stripe