CID 3052183

Brn 2219839

Structural Information

Molecular Formula
C14H18O4
SMILES
CC1=C(C(=C(C(=C1O)C)CC(=O)C)OC(=O)C)C
InChI
InChI=1S/C14H18O4/c1-7(15)6-12-10(4)13(17)8(2)9(3)14(12)18-11(5)16/h17H,6H2,1-5H3
InChIKey
OGCBXSRFBHCCEZ-UHFFFAOYSA-N
Compound name
[4-hydroxy-2,3,5-trimethyl-6-(2-oxopropyl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.12051 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.127786 152.8
[M+Na]+ 273.109728 162.3
[M-H]- 249.113234 156.3
[M+NH4]+ 268.154333 170.6
[M+K]+ 289.083668 160.6
[M+H-H2O]+ 233.117770 147.6
[M+HCOO]- 295.118711 173.6
[M+CH3COO]- 309.134361 197.5
[M+Na-2H]- 271.095176 152.4
[M]+ 250.11996142 157.8
[M]- 250.12105858 157.8
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.