CID 347508

Benzyl octyl ether

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CCCCCCCCOCC1=CC=CC=C1

InChI

InChI=1S/C15H24O/c1-2-3-4-5-6-10-13-16-14-15-11-8-7-9-12-15/h7-9,11-12H,2-6,10,13-14H2,1H3

InChIKey

NXZJVIKVJAKQOU-UHFFFAOYSA-N

Compound name

octoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 549
Patents: 220.18271 Da
Monoisotopic Mass: 5.0
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]+	221.18999	155.0
[M+Na]+	243.17193	159.8
[M-H]-	219.17543	157.4
[M+NH4]+	238.21653	173.4
[M+K]+	259.14587	157.0
[M+H-H2O]+	203.17997	148.1
[M+HCOO]-	265.18091	177.8
[M+CH3COO]-	279.19656	191.6
[M+Na-2H]-	241.15738	159.9
[M]+	220.18216	158.5
[M]-	220.18326	158.5

Literature stripe

literature stripe

Patent stripe

patents stripe