CID 166971

Dimethoxy di-p-cresol

Structural Information

Molecular Formula

C₁₆H₁₈O₄

SMILES

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

InChI

InChI=1S/C16H18O4/c1-9-5-11(15(17)13(7-9)19-3)12-6-10(2)8-14(20-4)16(12)18/h5-8,17-18H,1-4H3

InChIKey

QXKAEQCGFVTAMN-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-3-methoxy-5-methylphenyl)-6-methoxy-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 117
Patents: 274.1205 Da
Monoisotopic Mass: 3.5
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]+	275.12778	162.6
[M+Na]+	297.10972	177.4
[M+NH4]+	292.15432	169.9
[M+K]+	313.08366	171.1
[M-H]-	273.11322	166.0
[M+Na-2H]-	295.09517	169.4
[M]+	274.11995	165.7
[M]-	274.12105	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe