CID 546527

93941-00-5

Structural Information

Molecular Formula

C₁₈H₃₈O₂

SMILES

CCCCCCCCOC(C)OCCCCCCCC

InChI

InChI=1S/C18H38O2/c1-4-6-8-10-12-14-16-19-18(3)20-17-15-13-11-9-7-5-2/h18H,4-17H2,1-3H3

InChIKey

BLHQIMUQSPLMSP-UHFFFAOYSA-N

Compound name

1-(1-octoxyethoxy)octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 286.28717 Da
Monoisotopic Mass: 7.3
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]+	287.294446	180.7
[M+Na]+	309.276388	182.7
[M-H]-	285.279894	178.8
[M+NH4]+	304.320993	196.7
[M+K]+	325.250328	180.7
[M+H-H2O]+	269.284430	173.8
[M+HCOO]-	331.285371	200.0
[M+CH3COO]-	345.301021	208.0
[M+Na-2H]-	307.261836	180.0
[M]+	286.28662142	188.8
[M]-	286.28771858	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe