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

3
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

literature stripe

Patent stripe

patents stripe