CID 16216917

2,4-diethoxybenzyl alcohol

Structural Information

Molecular Formula

C₁₁H₁₆O₃

SMILES

CCOC1=CC(=C(C=C1)CO)OCC

InChI

InChI=1S/C11H16O3/c1-3-13-10-6-5-9(8-12)11(7-10)14-4-2/h5-7,12H,3-4,8H2,1-2H3

InChIKey

GVURYEOXXOUZQP-UHFFFAOYSA-N

Compound name

(2,4-diethoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 196.10994 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]+	197.11722	142.2
[M+Na]+	219.09916	150.1
[M-H]-	195.10266	144.7
[M+NH4]+	214.14376	161.4
[M+K]+	235.07310	148.4
[M+H-H2O]+	179.10720	136.4
[M+HCOO]-	241.10814	165.3
[M+CH3COO]-	255.12379	183.1
[M+Na-2H]-	217.08461	147.5
[M]+	196.10939	146.1
[M]-	196.11049	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe