CID 3085660

71889-15-1

Structural Information

Molecular Formula
C19H32O
SMILES
CC1=CC(=CC(=C1O)C(C)(C)CC(C)(C)C)C(C)(C)C
InChI
InChI=1S/C19H32O/c1-13-10-14(18(5,6)7)11-15(16(13)20)19(8,9)12-17(2,3)4/h10-11,20H,12H2,1-9H3
InChIKey
NRWUHKORTFMBBF-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-methyl-6-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

276.24533 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 168.3
[M+Na]+ 299.23455 175.3
[M-H]- 275.23805 171.0
[M+NH4]+ 294.27915 185.3
[M+K]+ 315.20849 172.5
[M+H-H2O]+ 259.24259 164.0
[M+HCOO]- 321.24353 183.6
[M+CH3COO]- 335.25918 204.6
[M+Na-2H]- 297.22000 171.7
[M]+ 276.24478 171.1
[M]- 276.24588 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe