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: 6096
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]+	175.132876	141.1
[M+Na]+	197.114818	146.9
[M-H]-	173.118324	141.2
[M+NH4]+	192.159423	161.6
[M+K]+	213.088758	148.2
[M+H-H2O]+	157.122860	136.2
[M+HCOO]-	219.123801	162.0
[M+CH3COO]-	233.139451	182.5
[M+Na-2H]-	195.100266	142.9
[M]+	174.12505142	145.2
[M]-	174.12614858	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe