CID 119104

1'-acetoxychavicol acetate

Structural Information

Molecular Formula
C13H14O4
SMILES
CC(=O)OC1=CC=C(C=C1)[C@H](C=C)OC(=O)C
InChI
InChI=1S/C13H14O4/c1-4-13(17-10(3)15)11-5-7-12(8-6-11)16-9(2)14/h4-8,13H,1H2,2-3H3/t13-/m0/s1
InChIKey
JAMQIUWGGBSIKZ-ZDUSSCGKSA-N
Compound name
[4-[(1S)-1-acetyloxyprop-2-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

90
References

190
Patents

234.0892 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09648 150.5
[M+Na]+ 257.07842 157.3
[M-H]- 233.08192 154.2
[M+NH4]+ 252.12302 168.3
[M+K]+ 273.05236 156.3
[M+H-H2O]+ 217.08646 144.3
[M+HCOO]- 279.08740 172.4
[M+CH3COO]- 293.10305 191.3
[M+Na-2H]- 255.06387 152.4
[M]+ 234.08865 154.0
[M]- 234.08975 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.