CID 86391

130097-36-8

Structural Information

Molecular Formula

C₁₆H₂₄O₃

SMILES

CC(C)(C)CCC(=O)OOC(C)(C)C1=CC=CC=C1

InChI

InChI=1S/C16H24O3/c1-15(2,3)12-11-14(17)18-19-16(4,5)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3

InChIKey

WFAUFYAGXAXBEG-UHFFFAOYSA-N

Compound name

2-phenylpropan-2-yl 4,4-dimethylpentaneperoxoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 779
Patents: 264.17255 Da
Monoisotopic Mass: 4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.179826	164.1
[M+Na]+	287.161768	169.5
[M-H]-	263.165274	167.3
[M+NH4]+	282.206373	181.0
[M+K]+	303.135708	168.4
[M+H-H2O]+	247.169810	158.2
[M+HCOO]-	309.170751	183.2
[M+CH3COO]-	323.186401	197.9
[M+Na-2H]-	285.147216	169.2
[M]+	264.17200142	168.6
[M]-	264.17309858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe