CID 6448190

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

Structural Information

Molecular Formula
C19H28O2
SMILES
C/C(=C\C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C(=O)C
InChI
InChI=1S/C19H28O2/c1-12(13(2)20)9-14-10-15(18(3,4)5)17(21)16(11-14)19(6,7)8/h9-11,21H,1-8H3/b12-9+
InChIKey
XVJKSGJGHGOBSI-FMIVXFBMSA-N
Compound name
(E)-4-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

288.20892 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21620 172.9
[M+Na]+ 311.19814 183.3
[M+NH4]+ 306.24274 178.8
[M+K]+ 327.17208 178.8
[M-H]- 287.20164 172.4
[M+Na-2H]- 309.18359 176.0
[M]+ 288.20837 174.3
[M]- 288.20947 174.3
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