CID 75224

2',4',6'-triisopropylacetophenone

Structural Information

Molecular Formula
C17H26O
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C(=O)C)C(C)C
InChI
InChI=1S/C17H26O/c1-10(2)14-8-15(11(3)4)17(13(7)18)16(9-14)12(5)6/h8-12H,1-7H3
InChIKey
SGRDDUKVLKWIBZ-UHFFFAOYSA-N
Compound name
1-[2,4,6-tri(propan-2-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

246.19836 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 158.7
[M+Na]+ 269.187578 165.0
[M-H]- 245.191084 162.5
[M+NH4]+ 264.232183 176.9
[M+K]+ 285.161518 163.1
[M+H-H2O]+ 229.195620 153.1
[M+HCOO]- 291.196561 177.2
[M+CH3COO]- 305.212211 203.7
[M+Na-2H]- 267.173026 156.0
[M]+ 246.19781142 161.1
[M]- 246.19890858 161.1
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