CID 74558

Benzene, (octyloxy)-

Structural Information

Molecular Formula

C₁₄H₂₂O

SMILES

CCCCCCCCOC1=CC=CC=C1

InChI

InChI=1S/C14H22O/c1-2-3-4-5-6-10-13-15-14-11-8-7-9-12-14/h7-9,11-12H,2-6,10,13H2,1H3

InChIKey

ZPIRTVJRHUMMOI-UHFFFAOYSA-N

Compound name

octoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 21308
Patents: 206.16707 Da
Monoisotopic Mass: 5.5
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]+	207.174346	150.3
[M+Na]+	229.156288	155.6
[M-H]-	205.159794	152.9
[M+NH4]+	224.200893	169.4
[M+K]+	245.130228	153.0
[M+H-H2O]+	189.164330	143.7
[M+HCOO]-	251.165271	173.5
[M+CH3COO]-	265.180921	188.6
[M+Na-2H]-	227.141736	155.9
[M]+	206.16652142	153.5
[M]-	206.16761858	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe