CID 61830

Peroxydicarbonic acid, dibutyl ester

Structural Information

Molecular Formula

C₁₀H₁₈O₆

SMILES

CCCCOC(=O)OOC(=O)OCCCC

InChI

InChI=1S/C10H18O6/c1-3-5-7-13-9(11)15-16-10(12)14-8-6-4-2/h3-8H2,1-2H3

InChIKey

ZGPBOPXFOJBLIV-UHFFFAOYSA-N

Compound name

butoxycarbonyloxy butyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2930
Patents: 234.11034 Da
Monoisotopic Mass: 3.5
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]+	235.11762	152.2
[M+Na]+	257.09956	158.0
[M-H]-	233.10306	152.0
[M+NH4]+	252.14416	170.2
[M+K]+	273.07350	159.5
[M+H-H2O]+	217.10760	146.4
[M+HCOO]-	279.10854	174.6
[M+CH3COO]-	293.12419	187.8
[M+Na-2H]-	255.08501	154.9
[M]+	234.10979	160.7
[M]-	234.11089	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe