CID 45360152

Compound np-012926

Structural Information

Molecular Formula

C₂₀H₂₄O₄

SMILES

CC1C(C(OC1C2=CC=C(C=C2)O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C20H24O4/c1-12-13(2)20(15-7-10-17(22-3)18(11-15)23-4)24-19(12)14-5-8-16(21)9-6-14/h5-13,19-21H,1-4H3

InChIKey

XCRBJSLPMIXFOO-UHFFFAOYSA-N

Compound name

4-[5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 328.16745 Da
Monoisotopic Mass: 4.1
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]+	329.174726	177.6
[M+Na]+	351.156668	185.6
[M-H]-	327.160174	187.6
[M+NH4]+	346.201273	192.0
[M+K]+	367.130608	183.0
[M+H-H2O]+	311.164710	170.3
[M+HCOO]-	373.165651	197.6
[M+CH3COO]-	387.181301	209.4
[M+Na-2H]-	349.142116	176.6
[M]+	328.16690142	181.1
[M]-	328.16799858	181.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.