CID 6445485

Beta-acetyl-3,5-di-tert-butyl-4-hydroxystyrene

Structural Information

Molecular Formula
C18H26O2
SMILES
CC(=O)/C=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C18H26O2/c1-12(19)8-9-13-10-14(17(2,3)4)16(20)15(11-13)18(5,6)7/h8-11,20H,1-7H3/b9-8+
InChIKey
TWDPBGDKUCRDCL-CMDGGOBGSA-N
Compound name
(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

274.19327 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.20055 168.9
[M+Na]+ 297.18249 179.9
[M+NH4]+ 292.22709 175.2
[M+K]+ 313.15643 174.8
[M-H]- 273.18599 168.7
[M+Na-2H]- 295.16794 172.6
[M]+ 274.19272 170.5
[M]- 274.19382 170.5
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