CID 5024764

57717-80-3

Structural Information

Molecular Formula
C19H32O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(C)(C)CO
InChI
InChI=1S/C19H32O2/c1-17(2,3)14-9-13(11-19(7,8)12-20)10-15(16(14)21)18(4,5)6/h9-10,20-21H,11-12H2,1-8H3
InChIKey
XLWJPQQFJNGUPA-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

66
References

242
Patents

292.24023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.24751 175.8
[M+Na]+ 315.22945 185.9
[M+NH4]+ 310.27405 181.9
[M+K]+ 331.20339 181.5
[M-H]- 291.23295 175.1
[M+Na-2H]- 313.21490 179.1
[M]+ 292.23968 177.2
[M]- 292.24078 177.2
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