CID 75694

Tert-butyl 2-ethylperoxybutyrate

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

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

InChI

InChI=1S/C10H20O3/c1-6-8(7-2)9(11)12-13-10(3,4)5/h8H,6-7H2,1-5H3

InChIKey

KXYJPVZMZBJJBZ-UHFFFAOYSA-N

Compound name

tert-butyl 2-ethylbutaneperoxoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1329
Patents: 188.14125 Da
Monoisotopic Mass: 2.9
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]+	189.148526	144.6
[M+Na]+	211.130468	150.7
[M-H]-	187.133974	144.8
[M+NH4]+	206.175073	164.7
[M+K]+	227.104408	151.6
[M+H-H2O]+	171.138510	140.2
[M+HCOO]-	233.139451	164.6
[M+CH3COO]-	247.155101	184.9
[M+Na-2H]-	209.115916	148.0
[M]+	188.14070142	149.2
[M]-	188.14179858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe