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 165.3
[M+Na]+ 297.18249 172.7
[M-H]- 273.18599 168.0
[M+NH4]+ 292.22709 182.1
[M+K]+ 313.15643 169.4
[M+H-H2O]+ 257.19053 160.7
[M+HCOO]- 319.19147 182.2
[M+CH3COO]- 333.20712 201.3
[M+Na-2H]- 295.16794 167.1
[M]+ 274.19272 167.6
[M]- 274.19382 167.6
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