CID 93376

2,2-di-sec-butoxyacetophenone

Structural Information

Molecular Formula
C16H24O3
SMILES
CCC(C)OC(C(=O)C1=CC=CC=C1)OC(C)CC
InChI
InChI=1S/C16H24O3/c1-5-12(3)18-16(19-13(4)6-2)15(17)14-10-8-7-9-11-14/h7-13,16H,5-6H2,1-4H3
InChIKey
OHQSQCACEXDHAJ-UHFFFAOYSA-N
Compound name
2,2-di(butan-2-yloxy)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

697
Patents

264.17255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17983 163.9
[M+Na]+ 287.16177 173.7
[M+NH4]+ 282.20637 170.5
[M+K]+ 303.13571 168.8
[M-H]- 263.16527 164.4
[M+Na-2H]- 285.14722 168.0
[M]+ 264.17200 165.2
[M]- 264.17310 165.2
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