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
1
Annotation Hits

1
References

73
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

literature stripe

Patent stripe

patents stripe