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]+ 251.12779 152.8
[M+Na]+ 273.10973 162.3
[M-H]- 249.11323 156.3
[M+NH4]+ 268.15433 170.6
[M+K]+ 289.08367 160.6
[M+H-H2O]+ 233.11777 147.6
[M+HCOO]- 295.11871 173.6
[M+CH3COO]- 309.13436 197.5
[M+Na-2H]- 271.09518 152.4
[M]+ 250.11996 157.8
[M]- 250.12106 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.