CID 4397174

2,3-dimethyl-4-methoxybenzyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1=C(C=CC(=C1C)OC)CO

InChI

InChI=1S/C10H14O2/c1-7-8(2)10(12-3)5-4-9(7)6-11/h4-5,11H,6H2,1-3H3

InChIKey

FVNIOLGSUAIZPP-UHFFFAOYSA-N

Compound name

(4-methoxy-2,3-dimethylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 166.09938 Da
Monoisotopic Mass: 1.7
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]+	167.106656	133.5
[M+Na]+	189.088598	142.9
[M-H]-	165.092104	136.7
[M+NH4]+	184.133203	154.5
[M+K]+	205.062538	141.1
[M+H-H2O]+	149.096640	128.6
[M+HCOO]-	211.097581	156.8
[M+CH3COO]-	225.113231	179.2
[M+Na-2H]-	187.074046	138.8
[M]+	166.09883142	136.1
[M]-	166.09992858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe