CID 3069798

Brn 4760354

Structural Information

Molecular Formula
C19H20O4
SMILES
CC1=C(C(=C(C(=C1O)C)CC(=O)C)OC(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C19H20O4/c1-11(20)10-16-14(4)17(21)12(2)13(3)18(16)23-19(22)15-8-6-5-7-9-15/h5-9,21H,10H2,1-4H3
InChIKey
UGWMVRLVRBMNRU-UHFFFAOYSA-N
Compound name
[4-hydroxy-2,3,5-trimethyl-6-(2-oxopropyl)phenyl] benzoate
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]+ 313.143446 171.2
[M+Na]+ 335.125388 179.5
[M-H]- 311.128894 177.4
[M+NH4]+ 330.169993 185.7
[M+K]+ 351.099328 176.2
[M+H-H2O]+ 295.133430 163.9
[M+HCOO]- 357.134371 191.6
[M+CH3COO]- 371.150021 208.3
[M+Na-2H]- 333.110836 170.4
[M]+ 312.13562142 175.2
[M]- 312.13671858 175.2
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.