CID 101871127

B05yk2nn7h

Structural Information

Molecular Formula

C₁₉H₃₀O₃

SMILES

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

InChI

InChI=1S/C19H30O3/c1-6-7-8-12-15-18(2,3)17(20)21-22-19(4,5)16-13-10-9-11-14-16/h9-11,13-14H,6-8,12,15H2,1-5H3

InChIKey

NUIZZJWNNGJSGL-UHFFFAOYSA-N

Compound name

2-phenylpropan-2-yl 2,2-dimethyloctaneperoxoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2531
Patents: 306.21948 Da
Monoisotopic Mass: 6.2
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]+	307.226756	178.0
[M+Na]+	329.208698	182.0
[M-H]-	305.212204	180.5
[M+NH4]+	324.253303	193.0
[M+K]+	345.182638	180.1
[M+H-H2O]+	289.216740	171.5
[M+HCOO]-	351.217681	196.0
[M+CH3COO]-	365.233331	207.5
[M+Na-2H]-	327.194146	181.4
[M]+	306.21893142	183.6
[M]-	306.22002858	183.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe