CID 109058

61167-58-6

Structural Information

Molecular Formula
C26H34O3
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)OC(=O)C=C
InChI
InChI=1S/C26H34O3/c1-10-22(27)29-24-19(12-17(3)14-21(24)26(7,8)9)15-18-11-16(2)13-20(23(18)28)25(4,5)6/h10-14,28H,1,15H2,2-9H3
InChIKey
IORUEKDKNHHQAL-UHFFFAOYSA-N
Compound name
[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13153
Patents

394.2508 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25808 196.7
[M+Na]+ 417.24002 204.2
[M-H]- 393.24352 202.7
[M+NH4]+ 412.28462 208.7
[M+K]+ 433.21396 199.7
[M+H-H2O]+ 377.24806 189.9
[M+HCOO]- 439.24900 212.3
[M+CH3COO]- 453.26465 226.9
[M+Na-2H]- 415.22547 195.1
[M]+ 394.25025 201.8
[M]- 394.25135 201.8
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