CID 11472669

22518-06-5

Structural Information

Molecular Formula
C18H24O5
SMILES
CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C
InChI
InChI=1S/C18H24O5/c1-11(2)16(19)21-9-18(10-22-18)14-7-6-13(5)8-15(14)23-17(20)12(3)4/h6-8,11-12H,9-10H2,1-5H3
InChIKey
OLARKEMZPWGFJU-UHFFFAOYSA-N
Compound name
[2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

5
Patents

320.16238 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.16966 172.5
[M+Na]+ 343.15160 180.0
[M-H]- 319.15510 180.7
[M+NH4]+ 338.19620 183.0
[M+K]+ 359.12554 180.3
[M+H-H2O]+ 303.15964 166.5
[M+HCOO]- 365.16058 190.8
[M+CH3COO]- 379.17623 211.5
[M+Na-2H]- 341.13705 173.1
[M]+ 320.16183 182.0
[M]- 320.16293 182.0
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.