CID 87128916

11-methyldodecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoate

Structural Information

Molecular Formula
C30H52O3
SMILES
CC(C)CCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C30H52O3/c1-23(2)17-15-13-11-9-10-12-14-16-20-33-27(31)19-18-24-21-25(29(3,4)5)28(32)26(22-24)30(6,7)8/h21-23,32H,9-20H2,1-8H3
InChIKey
OLGBEZPVDGIRFI-UHFFFAOYSA-N
Compound name
11-methyldodecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

222
Patents

460.39163 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.39891 224.3
[M+Na]+ 483.38085 231.9
[M+NH4]+ 478.42545 228.0
[M+K]+ 499.35479 225.5
[M-H]- 459.38435 223.1
[M+Na-2H]- 481.36630 224.3
[M]+ 460.39108 225.0
[M]- 460.39218 225.0
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

patents stripe