CID 12392

Heptyl ether

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: 3362
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	156.4
[M+Na]+	237.21888	165.9
[M+NH4]+	232.26348	163.9
[M+K]+	253.19282	157.6
[M-H]-	213.22238	156.3
[M+Na-2H]-	235.20433	159.1
[M]+	214.22911	157.6
[M]-	214.23021	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe