CID 79717

4,4'-isopropylidenedi-2,6-xylol

Structural Information

Molecular Formula
C19H24O2
SMILES
CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC(=C(C(=C2)C)O)C
InChI
InChI=1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
InChIKey
ODJUOZPKKHIEOZ-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

32047
Patents

284.17764 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18492 167.3
[M+Na]+ 307.16686 176.8
[M-H]- 283.17036 172.7
[M+NH4]+ 302.21146 183.2
[M+K]+ 323.14080 172.1
[M+H-H2O]+ 267.17490 161.3
[M+HCOO]- 329.17584 185.8
[M+CH3COO]- 343.19149 203.7
[M+Na-2H]- 305.15231 168.5
[M]+ 284.17709 169.3
[M]- 284.17819 169.3
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