CID 12392

Ether, diheptyl

Structural Information

Molecular Formula

C₁₄H₃₀O

SMILES

CCCCCCCOCCCCCCC

InChI

InChI=1S/C14H30O/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-14H2,1-2H3

InChIKey

UJEGHEMJVNQWOJ-UHFFFAOYSA-N

Compound name

1-heptoxyheptane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 3864
Patents: 214.22966 Da
Monoisotopic Mass: 5.8
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]+	215.23694	158.6
[M+Na]+	237.21888	162.5
[M-H]-	213.22238	157.4
[M+NH4]+	232.26348	177.6
[M+K]+	253.19282	160.7
[M+H-H2O]+	197.22692	152.7
[M+HCOO]-	259.22786	180.0
[M+CH3COO]-	273.24351	193.5
[M+Na-2H]-	235.20433	161.4
[M]+	214.22911	164.4
[M]-	214.23021	164.4

Literature stripe

literature stripe

Patent stripe

patents stripe