CID 102924

3006-82-4

Structural Information

Molecular Formula

C₁₂H₂₄O₃

SMILES

CCCCC(CC)C(=O)OOC(C)(C)C

InChI

InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3

InChIKey

WYKYCHHWIJXDAO-UHFFFAOYSA-N

Compound name

tert-butyl 2-ethylhexaneperoxoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18592
Patents: 216.17255 Da
Monoisotopic Mass: 4.0
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]+	217.17983	153.0
[M+Na]+	239.16177	161.1
[M+NH4]+	234.20637	159.0
[M+K]+	255.13571	157.1
[M-H]-	215.16527	150.6
[M+Na-2H]-	237.14722	154.4
[M]+	216.17200	153.2
[M]-	216.17310	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe