CID 106442

(2-isopropoxyethyl)benzene

Structural Information

Molecular Formula

C₁₁H₁₆O

SMILES

CC(C)OCCC1=CC=CC=C1

InChI

InChI=1S/C11H16O/c1-10(2)12-9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3

InChIKey

FMPXLXBVYDFXIC-UHFFFAOYSA-N

Compound name

2-propan-2-yloxyethylbenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 810
Patents: 164.12012 Da
Monoisotopic Mass: 2.8
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]+	165.127396	136.8
[M+Na]+	187.109338	143.1
[M-H]-	163.112844	140.1
[M+NH4]+	182.153943	157.5
[M+K]+	203.083278	141.8
[M+H-H2O]+	147.117380	130.9
[M+HCOO]-	209.118321	160.0
[M+CH3COO]-	223.133971	180.3
[M+Na-2H]-	185.094786	142.8
[M]+	164.11957142	138.3
[M]-	164.12066858	138.3

Literature stripe

literature stripe

Patent stripe

patents stripe