CID 11687648

(+)-dalbergiphenol

Structural Information

Molecular Formula
C17H18O3
SMILES
COC1=CC(=C(C=C1[C@H](C=C)C2=CC=CC=C2)O)OC
InChI
InChI=1S/C17H18O3/c1-4-13(12-8-6-5-7-9-12)14-10-15(18)17(20-3)11-16(14)19-2/h4-11,13,18H,1H2,2-3H3/t13-/m1/s1
InChIKey
SLLCQEPKLKMZKP-CYBMUJFWSA-N
Compound name
2,4-dimethoxy-5-[(1R)-1-phenylprop-2-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 161.9
[M+Na]+ 293.11480 169.4
[M-H]- 269.11830 167.6
[M+NH4]+ 288.15940 177.7
[M+K]+ 309.08874 165.7
[M+H-H2O]+ 253.12284 154.5
[M+HCOO]- 315.12378 183.6
[M+CH3COO]- 329.13943 198.1
[M+Na-2H]- 291.10025 164.6
[M]+ 270.12503 164.3
[M]- 270.12613 164.3
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.