CID 616172

2,6-bis(1,1-dimethylethyl)-4-(1-oxopropyl)phenol

Structural Information

Molecular Formula
C17H26O2
SMILES
CCC(=O)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C17H26O2/c1-8-14(18)11-9-12(16(2,3)4)15(19)13(10-11)17(5,6)7/h9-10,19H,8H2,1-7H3
InChIKey
JGJQYHBWTHQSPR-UHFFFAOYSA-N
Compound name
1-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

107
Patents

262.19327 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 162.2
[M+Na]+ 285.182488 169.6
[M-H]- 261.185994 165.0
[M+NH4]+ 280.227093 179.5
[M+K]+ 301.156428 167.1
[M+H-H2O]+ 245.190530 157.6
[M+HCOO]- 307.191471 179.2
[M+CH3COO]- 321.207121 199.9
[M+Na-2H]- 283.167936 164.4
[M]+ 262.19272142 164.8
[M]- 262.19381858 164.8
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