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 168.4
[M+Na]+ 311.19814 175.1
[M-H]- 287.20164 171.0
[M+NH4]+ 306.24274 184.6
[M+K]+ 327.17208 172.1
[M+H-H2O]+ 271.20618 163.8
[M+HCOO]- 333.20712 184.0
[M+CH3COO]- 347.22277 205.2
[M+Na-2H]- 309.18359 168.6
[M]+ 288.20837 170.5
[M]- 288.20947 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