CID 221509

1,2-dipropoxybenzene

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CCCOC1=CC=CC=C1OCCC

InChI

InChI=1S/C12H18O2/c1-3-9-13-11-7-5-6-8-12(11)14-10-4-2/h5-8H,3-4,9-10H2,1-2H3

InChIKey

XUIKECLBCZBUCM-UHFFFAOYSA-N

Compound name

1,2-dipropoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 380
Patents: 194.13068 Da
Monoisotopic Mass: 3.5
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]+	195.13796	143.7
[M+Na]+	217.11990	156.6
[M+NH4]+	212.16450	152.3
[M+K]+	233.09384	149.0
[M-H]-	193.12340	146.1
[M+Na-2H]-	215.10535	150.6
[M]+	194.13013	146.2
[M]-	194.13123	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe