CID 119929

3,5-dipropoxyphenol

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

CCCOC1=CC(=CC(=C1)O)OCCC

InChI

InChI=1S/C12H18O3/c1-3-5-14-11-7-10(13)8-12(9-11)15-6-4-2/h7-9,13H,3-6H2,1-2H3

InChIKey

SHZCHGMKOUMNAW-UHFFFAOYSA-N

Compound name

3,5-dipropoxyphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 33
Patents: 210.1256 Da
Monoisotopic Mass: 3.3
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]+	211.132876	146.8
[M+Na]+	233.114818	154.3
[M-H]-	209.118324	149.2
[M+NH4]+	228.159423	165.5
[M+K]+	249.088758	152.4
[M+H-H2O]+	193.122860	140.9
[M+HCOO]-	255.123801	169.6
[M+CH3COO]-	269.139451	186.1
[M+Na-2H]-	231.100266	151.6
[M]+	210.12505142	151.1
[M]-	210.12614858	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe