CID 9908458

Antioxidant 1135

Structural Information

Molecular Formula
C25H42O3
SMILES
CCCCCCCCOC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C25H42O3/c1-8-9-10-11-12-13-16-28-22(26)15-14-19-17-20(24(2,3)4)23(27)21(18-19)25(5,6)7/h17-18,27H,8-16H2,1-7H3
InChIKey
CFXCGWWYIDZIMU-UHFFFAOYSA-N
Compound name
octyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2232
Patents

390.3134 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.320676 203.2
[M+Na]+ 413.302618 207.0
[M-H]- 389.306124 204.3
[M+NH4]+ 408.347223 215.1
[M+K]+ 429.276558 203.3
[M+H-H2O]+ 373.310660 196.7
[M+HCOO]- 435.311601 217.6
[M+CH3COO]- 449.327251 225.1
[M+Na-2H]- 411.288066 201.3
[M]+ 390.31285142 210.1
[M]- 390.31394858 210.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe