CID 44153217

93981-81-8

Structural Information

Molecular Formula
C16H24O2
SMILES
CC(C)C(=O)OC(C)CC(C)(C)C1=CC=CC=C1
InChI
InChI=1S/C16H24O2/c1-12(2)15(17)18-13(3)11-16(4,5)14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3
InChIKey
SEVWLTKTZSJZRJ-UHFFFAOYSA-N
Compound name
(4-methyl-4-phenylpentan-2-yl) 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.17763 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 160.8
[M+Na]+ 271.16685 165.3
[M-H]- 247.17035 163.8
[M+NH4]+ 266.21145 178.1
[M+K]+ 287.14079 164.1
[M+H-H2O]+ 231.17489 154.8
[M+HCOO]- 293.17583 179.3
[M+CH3COO]- 307.19148 197.8
[M+Na-2H]- 269.15230 162.5
[M]+ 248.17708 163.1
[M]- 248.17818 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.