CID 70303

(propoxymethyl)benzene

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCCOCC1=CC=CC=C1

InChI

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

InChIKey

RPTKMZRQBREOMV-UHFFFAOYSA-N

Compound name

propoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2491
Patents: 150.10446 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]+	151.111736	131.6
[M+Na]+	173.093678	138.6
[M-H]-	149.097184	135.0
[M+NH4]+	168.138283	152.9
[M+K]+	189.067618	137.1
[M+H-H2O]+	133.101720	125.9
[M+HCOO]-	195.102661	156.2
[M+CH3COO]-	209.118311	176.5
[M+Na-2H]-	171.079126	139.4
[M]+	150.10391142	133.4
[M]-	150.10500858	133.4

Literature stripe

literature stripe

Patent stripe

patents stripe