CID 87128916

847488-62-4

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

3
Annotation Hits: 0
References: 275
Patents: 460.39163 Da
Monoisotopic Mass: 10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	461.398906	224.7
[M+Na]+	483.380848	226.1
[M-H]-	459.384354	224.8
[M+NH4]+	478.425453	233.6
[M+K]+	499.354788	221.8
[M+H-H2O]+	443.388890	217.5
[M+HCOO]-	505.389831	236.4
[M+CH3COO]-	519.405481	240.5
[M+Na-2H]-	481.366296	219.2
[M]+	460.39108142	232.7
[M]-	460.39217858	232.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe