CID 6448189

2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-4-hydroxybutanoic acid

Structural Information

Molecular Formula
C19H28O4
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C(\CCO)/C(=O)O
InChI
InChI=1S/C19H28O4/c1-18(2,3)14-10-12(9-13(7-8-20)17(22)23)11-15(16(14)21)19(4,5)6/h9-11,20-21H,7-8H2,1-6H3,(H,22,23)/b13-9+
InChIKey
RVAONIDBRIBHMK-UKTHLTGXSA-N
Compound name
(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

320.19876 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.20604 177.2
[M+Na]+ 343.18798 182.6
[M-H]- 319.19148 176.8
[M+NH4]+ 338.23258 190.3
[M+K]+ 359.16192 179.3
[M+H-H2O]+ 303.19602 172.5
[M+HCOO]- 365.19696 190.1
[M+CH3COO]- 379.21261 204.6
[M+Na-2H]- 341.17343 176.5
[M]+ 320.19821 178.3
[M]- 320.19931 178.3
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