CID 3069799

Brn 4760355

Structural Information

Molecular Formula
C19H20O4
SMILES
CC1=C(C(=C(C(=C1O)C)CC(=O)C2=CC=CC=C2)OC(=O)C)C
InChI
InChI=1S/C19H20O4/c1-11-12(2)19(23-14(4)20)16(13(3)18(11)22)10-17(21)15-8-6-5-7-9-15/h5-9,22H,10H2,1-4H3
InChIKey
KAEXAUGHUYWMLE-UHFFFAOYSA-N
Compound name
(4-hydroxy-2,3,5-trimethyl-6-phenacylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 173.3
[M+Na]+ 335.12539 187.1
[M+NH4]+ 330.16999 179.7
[M+K]+ 351.09933 181.1
[M-H]- 311.12889 176.1
[M+Na-2H]- 333.11084 179.3
[M]+ 312.13562 176.0
[M]- 312.13672 176.0
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.