CID 68321

Diisobutyl carbonate

Structural Information

Molecular Formula

C₉H₁₈O₃

SMILES

CC(C)COC(=O)OCC(C)C

InChI

InChI=1S/C9H18O3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

UXXXZMDJQLPQPH-UHFFFAOYSA-N

Compound name

bis(2-methylpropyl) carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6278
Patents: 174.1256 Da
Monoisotopic Mass: 3.2
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]+	175.13288	141.1
[M+Na]+	197.11482	146.9
[M-H]-	173.11832	141.2
[M+NH4]+	192.15942	161.6
[M+K]+	213.08876	148.2
[M+H-H2O]+	157.12286	136.2
[M+HCOO]-	219.12380	162.0
[M+CH3COO]-	233.13945	182.5
[M+Na-2H]-	195.10027	142.9
[M]+	174.12505	145.2
[M]-	174.12615	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe