CID 3072143

141075-83-4

Structural Information

Molecular Formula
C34H54O4
SMILES
CCC(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(CC)(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)O)O
InChI
InChI=1S/C34H54O4/c1-15-33(37,21-17-23(29(3,4)5)27(35)24(18-21)30(6,7)8)34(38,16-2)22-19-25(31(9,10)11)28(36)26(20-22)32(12,13)14/h17-20,35-38H,15-16H2,1-14H3
InChIKey
QXARPYSNDQRSAK-UHFFFAOYSA-N
Compound name
3,4-bis(3,5-ditert-butyl-4-hydroxyphenyl)hexane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.4022 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.409476 226.2
[M+Na]+ 549.391418 229.0
[M-H]- 525.394924 227.4
[M+NH4]+ 544.436023 231.0
[M+K]+ 565.365358 226.4
[M+H-H2O]+ 509.399460 221.0
[M+HCOO]- 571.400401 229.0
[M+CH3COO]- 585.416051 247.9
[M+Na-2H]- 547.376866 228.0
[M]+ 526.40165142 229.5
[M]- 526.40274858 229.5
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

No patent data available for this compound.