CID 74383

Cumyl ethyl ether

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CCOC(C)(C)C1=CC=CC=C1

InChI

InChI=1S/C11H16O/c1-4-12-11(2,3)10-8-6-5-7-9-10/h5-9H,4H2,1-3H3

InChIKey

JNPNJMJXGPZCNE-UHFFFAOYSA-N

Compound name

2-ethoxypropan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 223
Patents: 164.12012 Da
Monoisotopic Mass: 2.5
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]+	165.12740	136.3
[M+Na]+	187.10934	143.4
[M-H]-	163.11284	139.9
[M+NH4]+	182.15394	157.2
[M+K]+	203.08328	142.0
[M+H-H2O]+	147.11738	131.0
[M+HCOO]-	209.11832	158.9
[M+CH3COO]-	223.13397	179.9
[M+Na-2H]-	185.09479	144.2
[M]+	164.11957	138.0
[M]-	164.12067	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe