CID 16822

Dihydroconiferyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

COC1=C(C=CC(=C1)CCCO)O

InChI

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

InChIKey

MWOMNLDJNQWJMK-UHFFFAOYSA-N

Compound name

4-(3-hydroxypropyl)-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 364
Patents: 182.0943 Da
Monoisotopic Mass: 0.8
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]+	183.10158	138.4
[M+Na]+	205.08352	150.5
[M+NH4]+	200.12812	146.1
[M+K]+	221.05746	144.7
[M-H]-	181.08702	139.3
[M+Na-2H]-	203.06897	143.9
[M]+	182.09375	140.2
[M]-	182.09485	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe