CID 91334

1,1,3-tris(3-tert-butyl-4-hydroxyphenyl)butane

Structural Information

Molecular Formula
C34H46O3
SMILES
CC(CC(C1=CC(=C(C=C1)O)C(C)(C)C)C2=CC(=C(C=C2)O)C(C)(C)C)C3=CC(=C(C=C3)O)C(C)(C)C
InChI
InChI=1S/C34H46O3/c1-21(22-11-14-29(35)26(18-22)32(2,3)4)17-25(23-12-15-30(36)27(19-23)33(5,6)7)24-13-16-31(37)28(20-24)34(8,9)10/h11-16,18-21,25,35-37H,17H2,1-10H3
InChIKey
UISUNQPJOFOKPB-UHFFFAOYSA-N
Compound name
4-[4,4-bis(3-tert-butyl-4-hydroxyphenyl)butan-2-yl]-2-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

502.3447 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.35198 233.0
[M+Na]+ 525.33392 244.9
[M+NH4]+ 520.37852 237.7
[M+K]+ 541.30786 239.3
[M-H]- 501.33742 236.4
[M+Na-2H]- 523.31937 238.5
[M]+ 502.34415 236.1
[M]- 502.34525 236.1
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