CID 246977

6,6'-di-tert.butyl-4,4'-bi-ortho-cresol

Structural Information

Molecular Formula
C22H30O2
SMILES
CC1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C)O)C(C)(C)C
InChI
InChI=1S/C22H30O2/c1-13-9-15(11-17(19(13)23)21(3,4)5)16-10-14(2)20(24)18(12-16)22(6,7)8/h9-12,23-24H,1-8H3
InChIKey
UFFRXKCBFTZHIG-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

133
Patents

326.22458 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.231856 179.9
[M+Na]+ 349.213798 188.5
[M-H]- 325.217304 185.2
[M+NH4]+ 344.258403 194.4
[M+K]+ 365.187738 184.0
[M+H-H2O]+ 309.221840 174.1
[M+HCOO]- 371.222781 195.8
[M+CH3COO]- 385.238431 212.0
[M+Na-2H]- 347.199246 180.7
[M]+ 326.22403142 182.4
[M]- 326.22512858 182.4
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