CID 91334

Dtxsid10885289

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 225.9
[M+Na]+ 525.33392 229.2
[M-H]- 501.33742 231.4
[M+NH4]+ 520.37852 231.4
[M+K]+ 541.30786 224.5
[M+H-H2O]+ 485.34196 217.9
[M+HCOO]- 547.34290 233.9
[M+CH3COO]- 561.35855 244.7
[M+Na-2H]- 523.31937 222.2
[M]+ 502.34415 227.5
[M]- 502.34525 227.5
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

patents stripe