CID 18762378

Schembl284123

Structural Information

Molecular Formula

C₃₀H₅₂O₃

SMILES

CCCCCCCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C30H52O3/c1-8-9-10-11-12-13-14-15-16-17-18-21-33-27(31)20-19-24-22-25(29(2,3)4)28(32)26(23-24)30(5,6)7/h22-23,32H,8-21H2,1-7H3

InChIKey

POHDYPLISNZLAR-UHFFFAOYSA-N

Compound name

tridecyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 286
Patents: 460.39163 Da
Monoisotopic Mass: 11.1
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	225.7
[M+Na]+	483.380848	227.4
[M-H]-	459.384354	225.8
[M+NH4]+	478.425453	234.8
[M+K]+	499.354788	222.5
[M+H-H2O]+	443.388890	218.3
[M+HCOO]-	505.389831	238.4
[M+CH3COO]-	519.405481	239.7
[M+Na-2H]-	481.366296	221.3
[M]+	460.39108142	234.4
[M]-	460.39217858	234.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe