CID 24721331

875664-51-0

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC1=CC(=C(C(=C1)OC)CO)OC

InChI

InChI=1S/C10H14O3/c1-7-4-9(12-2)8(6-11)10(5-7)13-3/h4-5,11H,6H2,1-3H3

InChIKey

FZOYONABQLHLHW-UHFFFAOYSA-N

Compound name

(2,6-dimethoxy-4-methylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.0943 Da
Monoisotopic Mass: 1.3
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]+	183.101576	136.7
[M+Na]+	205.083518	146.0
[M-H]-	181.087024	139.9
[M+NH4]+	200.128123	156.9
[M+K]+	221.057458	144.7
[M+H-H2O]+	165.091560	131.5
[M+HCOO]-	227.092501	160.2
[M+CH3COO]-	241.108151	181.3
[M+Na-2H]-	203.068966	142.0
[M]+	182.09375142	140.7
[M]-	182.09484858	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.