CID 3034427

Phenol, bis(1,1-dimethylethyl)-4-methyl-

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C(C(=C(C=C1)O)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C15H24O/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4/h8-9,16H,1-7H3
InChIKey
QWQNFXDYOCUEER-UHFFFAOYSA-N
Compound name
2,3-ditert-butyl-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

17137
Patents

220.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 151.9
[M+Na]+ 243.171928 160.3
[M-H]- 219.175434 155.1
[M+NH4]+ 238.216533 171.2
[M+K]+ 259.145868 157.8
[M+H-H2O]+ 203.179970 147.8
[M+HCOO]- 265.180911 170.2
[M+CH3COO]- 279.196561 191.9
[M+Na-2H]- 241.157376 156.2
[M]+ 220.18216142 153.8
[M]- 220.18325858 153.8
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