CID 11265003

3,3',5,5'-tetramethyl-1,1'-biphenyl-2,2'-diol

Structural Information

Molecular Formula
C16H18O2
SMILES
CC1=CC(=C(C(=C1)C2=CC(=CC(=C2O)C)C)O)C
InChI
InChI=1S/C16H18O2/c1-9-5-11(3)15(17)13(7-9)14-8-10(2)6-12(4)16(14)18/h5-8,17-18H,1-4H3
InChIKey
XBDTZNMRTRPDKH-UHFFFAOYSA-N
Compound name
2-(2-hydroxy-3,5-dimethylphenyl)-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

363
Patents

242.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 154.1
[M+Na]+ 265.11990 164.5
[M-H]- 241.12340 159.7
[M+NH4]+ 260.16450 171.6
[M+K]+ 281.09384 159.9
[M+H-H2O]+ 225.12794 148.1
[M+HCOO]- 287.12888 175.2
[M+CH3COO]- 301.14453 194.2
[M+Na-2H]- 263.10535 156.0
[M]+ 242.13013 155.6
[M]- 242.13123 155.6
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