CID 13527

Tert-amyl ethyl ether

Structural Information

Molecular Formula

C₇H₁₆O

SMILES

CCC(C)(C)OCC

InChI

InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3

InChIKey

KFRVYYGHSPLXSZ-UHFFFAOYSA-N

Compound name

2-ethoxy-2-methylbutane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1473
Patents: 116.12012 Da
Monoisotopic Mass: 2.0
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]+	117.12740	125.6
[M+Na]+	139.10934	136.3
[M+NH4]+	134.15394	134.2
[M+K]+	155.08328	130.9
[M-H]-	115.11284	125.2
[M+Na-2H]-	137.09479	130.1
[M]+	116.11957	127.0
[M]-	116.12067	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe