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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.078096 136.3
[M+Na]+ 202.060038 144.3
[M-H]- 178.063544 138.8
[M+NH4]+ 197.104643 156.1
[M+K]+ 218.033978 141.9
[M+H-H2O]+ 162.068080 131.0
[M+HCOO]- 224.069021 158.7
[M+CH3COO]- 238.084671 178.0
[M+Na-2H]- 200.045486 141.3
[M]+ 179.07027142 136.9
[M]- 179.07136858 136.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.