CID 11183557

61114-48-5

Structural Information

Molecular Formula

C₁₀H₁₈O₅

SMILES

CCC(C)OC(=O)OC(=O)OC(C)CC

InChI

InChI=1S/C10H18O5/c1-5-7(3)13-9(11)15-10(12)14-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey

PRUGMAWKMXYGFZ-UHFFFAOYSA-N

Compound name

butan-2-yl butan-2-yloxycarbonyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 218.11542 Da
Monoisotopic Mass: 3.4
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]+	219.12270	149.4
[M+Na]+	241.10464	156.6
[M+NH4]+	236.14924	154.3
[M+K]+	257.07858	154.5
[M-H]-	217.10814	145.9
[M+Na-2H]-	239.09009	149.6
[M]+	218.11487	148.9
[M]-	218.11597	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe