CID 3017624

(2-methoxy-1-methylethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC(COC)C1=CC=CC=C1

InChI

InChI=1S/C10H14O/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

JSLADQCPHDFYDG-UHFFFAOYSA-N

Compound name

1-methoxypropan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 135
Patents: 150.10446 Da
Monoisotopic Mass: 2.4
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]+	151.111736	132.0
[M+Na]+	173.093678	138.8
[M-H]-	149.097184	135.5
[M+NH4]+	168.138283	153.3
[M+K]+	189.067618	137.7
[M+H-H2O]+	133.101720	126.4
[M+HCOO]-	195.102661	155.6
[M+CH3COO]-	209.118311	177.3
[M+Na-2H]-	171.079126	138.6
[M]+	150.10391142	133.1
[M]-	150.10500858	133.1

Literature stripe

literature stripe

Patent stripe

patents stripe