CID 138402490

Dtxsid801005051

Structural Information

Molecular Formula
C30H52O3
SMILES
CC(C)C(C)C(C)C(C)C(C)C(C)OC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C30H52O3/c1-18(2)19(3)20(4)21(5)22(6)23(7)33-27(31)15-14-24-16-25(29(8,9)10)28(32)26(17-24)30(11,12)13/h16-23,32H,14-15H2,1-13H3
InChIKey
XSCAIZHLESBRAF-UHFFFAOYSA-N
Compound name
3,4,5,6,7-pentamethyloctan-2-yl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.39163 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.398906 214.3
[M+Na]+ 483.380848 214.9
[M-H]- 459.384354 215.1
[M+NH4]+ 478.425453 218.4
[M+K]+ 499.354788 213.8
[M+H-H2O]+ 443.388890 208.8
[M+HCOO]- 505.389831 221.6
[M+CH3COO]- 519.405481 244.7
[M+Na-2H]- 481.366296 204.2
[M]+ 460.39108142 219.6
[M]- 460.39217858 219.6
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

No patent data available for this compound.