CID 3084235

Terbuficin

Structural Information

Molecular Formula
C30H44O4
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)O
InChI
InChI=1S/C30H44O4/c1-27(2,3)19-13-17(14-20(24(19)31)28(4,5)6)23(26(33)34)18-15-21(29(7,8)9)25(32)22(16-18)30(10,11)12/h13-16,23,31-32H,1-12H3,(H,33,34)
InChIKey
YKROJXPZFTZLDK-UHFFFAOYSA-N
Compound name
2,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

71
Patents

468.32397 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.33125 210.9
[M+Na]+ 491.31319 215.5
[M-H]- 467.31669 214.0
[M+NH4]+ 486.35779 218.6
[M+K]+ 507.28713 212.9
[M+H-H2O]+ 451.32123 205.6
[M+HCOO]- 513.32217 218.1
[M+CH3COO]- 527.33782 238.4
[M+Na-2H]- 489.29864 209.2
[M]+ 468.32342 214.2
[M]- 468.32452 214.2
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.