CID 6448190

83677-18-3

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]+ 289.216196 168.4
[M+Na]+ 311.198138 175.1
[M-H]- 287.201644 171.0
[M+NH4]+ 306.242743 184.6
[M+K]+ 327.172078 172.1
[M+H-H2O]+ 271.206180 163.8
[M+HCOO]- 333.207121 184.0
[M+CH3COO]- 347.222771 205.2
[M+Na-2H]- 309.183586 168.6
[M]+ 288.20837142 170.5
[M]- 288.20946858 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