CID 21668703

(s)-verimol f

Structural Information

Molecular Formula

C₁₇H₂₀O₃

SMILES

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

InChI

InChI=1S/C17H20O3/c1-12(18)17(13-4-8-15(19-2)9-5-13)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3

InChIKey

NHUSVJTYMHDUAP-UHFFFAOYSA-N

Compound name

1,1-bis(4-methoxyphenyl)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 272.14124 Da
Monoisotopic Mass: 2.9
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]+	273.14852	163.7
[M+Na]+	295.13046	169.6
[M-H]-	271.13396	169.0
[M+NH4]+	290.17506	179.1
[M+K]+	311.10440	167.0
[M+H-H2O]+	255.13850	156.1
[M+HCOO]-	317.13944	184.2
[M+CH3COO]-	331.15509	198.6
[M+Na-2H]-	293.11591	165.8
[M]+	272.14069	165.8
[M]-	272.14179	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe