CID 3433132

Propionic acid 2,6-di-tert-butyl-4-methoxy-phenyl ester

Structural Information

Molecular Formula
C18H28O3
SMILES
CCC(=O)OC1=C(C=C(C=C1C(C)(C)C)OC)C(C)(C)C
InChI
InChI=1S/C18H28O3/c1-9-15(19)21-16-13(17(2,3)4)10-12(20-8)11-14(16)18(5,6)7/h10-11H,9H2,1-8H3
InChIKey
XUMZITKIIYYYDS-UHFFFAOYSA-N
Compound name
(2,6-ditert-butyl-4-methoxyphenyl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.20386 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 171.9
[M+Na]+ 315.19308 182.9
[M+NH4]+ 310.23768 178.2
[M+K]+ 331.16702 178.2
[M-H]- 291.19658 172.0
[M+Na-2H]- 313.17853 175.9
[M]+ 292.20331 173.6
[M]- 292.20441 173.6
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

No patent data available for this compound.