CID 6448191

Butanoic acid, 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-4-hydroxy-, methyl ester

Structural Information

Molecular Formula
C20H30O4
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\CCO)/C(=O)OC
InChI
InChI=1S/C20H30O4/c1-19(2,3)15-11-13(10-14(8-9-21)18(23)24-7)12-16(17(15)22)20(4,5)6/h10-12,21-22H,8-9H2,1-7H3/b14-10+
InChIKey
JEYSKSLKODWJJR-GXDHUFHOSA-N
Compound name
methyl (2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-hydroxybutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

334.21442 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 183.0
[M+Na]+ 357.20364 191.6
[M+NH4]+ 352.24824 187.2
[M+K]+ 373.17758 188.4
[M-H]- 333.20714 180.9
[M+Na-2H]- 355.18909 184.3
[M]+ 334.21387 183.4
[M]- 334.21497 183.4
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