CID 161924

Dihydroguaiaretic acid

Structural Information

Molecular Formula

C₂₀H₂₆O₄

SMILES

CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3

InChIKey

ADFOLUXMYYCTRR-UHFFFAOYSA-N

Compound name

4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 52
References: 42
Patents: 330.1831 Da
Monoisotopic Mass: 5.0
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]+	331.190376	180.0
[M+Na]+	353.172318	185.8
[M-H]-	329.175824	184.1
[M+NH4]+	348.216923	192.8
[M+K]+	369.146258	182.6
[M+H-H2O]+	313.180360	172.3
[M+HCOO]-	375.181301	198.1
[M+CH3COO]-	389.196951	209.7
[M+Na-2H]-	351.157766	178.7
[M]+	330.18255142	183.5
[M]-	330.18364858	183.5

Literature stripe

literature stripe

Patent stripe

patents stripe