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
2
Annotation Hits

0
References

256
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 224.7
[M+Na]+ 483.38085 226.1
[M-H]- 459.38435 224.8
[M+NH4]+ 478.42545 233.6
[M+K]+ 499.35479 221.8
[M+H-H2O]+ 443.38889 217.5
[M+HCOO]- 505.38983 236.4
[M+CH3COO]- 519.40548 240.5
[M+Na-2H]- 481.36630 219.2
[M]+ 460.39108 232.7
[M]- 460.39218 232.7
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