CID 1549095

Coniferyl alcohol

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

COC1=C(C=CC(=C1)/C=C/CO)O

InChI

InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+

InChIKey

JMFRWRFFLBVWSI-NSCUHMNNSA-N

Compound name

4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 184
References: 6276
Patents: 180.07864 Da
Monoisotopic Mass: 1.4
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]+	181.08592	137.9
[M+Na]+	203.06786	150.0
[M+NH4]+	198.11246	145.3
[M+K]+	219.04180	144.1
[M-H]-	179.07136	138.5
[M+Na-2H]-	201.05331	143.3
[M]+	180.07809	139.6
[M]-	180.07919	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe