CID 3072143

Brn 5461856

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]+ 527.40948 226.2
[M+Na]+ 549.39142 229.0
[M-H]- 525.39492 227.4
[M+NH4]+ 544.43602 231.0
[M+K]+ 565.36536 226.4
[M+H-H2O]+ 509.39946 221.0
[M+HCOO]- 571.40040 229.0
[M+CH3COO]- 585.41605 247.9
[M+Na-2H]- 547.37687 228.0
[M]+ 526.40165 229.5
[M]- 526.40275 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.