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
3
Annotation Hits

1
References

811
Patents

264.17255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.179826 165.5
[M+Na]+ 287.161768 169.1
[M-H]- 263.165274 168.1
[M+NH4]+ 282.206373 181.7
[M+K]+ 303.135708 168.4
[M+H-H2O]+ 247.169810 158.6
[M+HCOO]- 309.170751 184.6
[M+CH3COO]- 323.186401 201.0
[M+Na-2H]- 285.147216 165.0
[M]+ 264.17200142 169.1
[M]- 264.17309858 169.1
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