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: 116
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]+	219.122696	149.6
[M+Na]+	241.104638	155.1
[M-H]-	217.108144	149.7
[M+NH4]+	236.149243	168.2
[M+K]+	257.078578	157.0
[M+H-H2O]+	201.112680	144.3
[M+HCOO]-	263.113621	169.9
[M+CH3COO]-	277.129271	188.2
[M+Na-2H]-	239.090086	149.8
[M]+	218.11487142	155.5
[M]-	218.11596858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe