CID 36108

Hexane, 1-(pentyloxy)-

Structural Information

Molecular Formula

C₁₁H₂₄O

SMILES

CCCCCCOCCCCC

InChI

InChI=1S/C11H24O/c1-3-5-7-9-11-12-10-8-6-4-2/h3-11H2,1-2H3

InChIKey

ABMGECRLBPHGSD-UHFFFAOYSA-N

Compound name

1-pentoxyhexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 479
Patents: 172.18271 Da
Monoisotopic Mass: 4.2
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]+	173.18999	143.0
[M+Na]+	195.17193	153.2
[M+NH4]+	190.21653	151.1
[M+K]+	211.14587	145.6
[M-H]-	171.17543	143.1
[M+Na-2H]-	193.15738	146.6
[M]+	172.18216	144.4
[M]-	172.18326	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe