CID 73819207

Verimol d

Structural Information

Molecular Formula

C₁₈H₂₂O₄

SMILES

CC(C(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)O)O

InChI

InChI=1S/C18H22O4/c1-12(19)17(13-4-8-15(21-2)9-5-13)18(20)14-6-10-16(22-3)11-7-14/h4-12,17-20H,1-3H3

InChIKey

KKTBJMXEKPXZHK-UHFFFAOYSA-N

Compound name

1,2-bis(4-methoxyphenyl)butane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.1518 Da
Monoisotopic Mass: 2.5
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]+	303.15908	171.6
[M+Na]+	325.14102	183.4
[M+NH4]+	320.18562	178.2
[M+K]+	341.11496	178.3
[M-H]-	301.14452	174.0
[M+Na-2H]-	323.12647	177.7
[M]+	302.15125	173.8
[M]-	302.15235	173.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.