CID 109059

2-propenoic acid, 2-methyl-, 2-(1,1-dimethylethyl)-6-((3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl)methyl)-4-methylphenyl ester

Structural Information

Molecular Formula
C27H36O3
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)C
InChI
InChI=1S/C27H36O3/c1-16(2)25(29)30-24-20(12-18(4)14-22(24)27(8,9)10)15-19-11-17(3)13-21(23(19)28)26(5,6)7/h11-14,28H,1,15H2,2-10H3
InChIKey
ZVMCTBRFAFJZHQ-UHFFFAOYSA-N
Compound name
[2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

147
Patents

408.26645 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.27373 199.2
[M+Na]+ 431.25567 206.0
[M-H]- 407.25917 205.1
[M+NH4]+ 426.30027 210.6
[M+K]+ 447.22961 202.0
[M+H-H2O]+ 391.26371 192.5
[M+HCOO]- 453.26465 213.6
[M+CH3COO]- 467.28030 230.7
[M+Na-2H]- 429.24112 196.2
[M]+ 408.26590 204.1
[M]- 408.26700 204.1
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