CID 122706626

Coniferyl alcohol radical

Structural Information

Molecular Formula

C₁₀H₁₁O₃

SMILES

COC1=C/C(=C\[CH]CO)/C=CC1=O

InChI

InChI=1S/C10H11O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11H,6H2,1H3

InChIKey

ORAJWSYKRGVTDP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 179.07082 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]+	180.07810	136.3
[M+Na]+	202.06004	144.3
[M-H]-	178.06354	138.8
[M+NH4]+	197.10464	156.1
[M+K]+	218.03398	141.9
[M+H-H2O]+	162.06808	131.0
[M+HCOO]-	224.06902	158.7
[M+CH3COO]-	238.08467	178.0
[M+Na-2H]-	200.04549	141.3
[M]+	179.07027	136.9
[M]-	179.07137	136.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.