CID 545784

2-t-butyl-5-propyl-[1,3]dioxolan-4-one

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCCC1C(=O)OC(O1)C(C)(C)C

InChI

InChI=1S/C10H18O3/c1-5-6-7-8(11)13-9(12-7)10(2,3)4/h7,9H,5-6H2,1-4H3

InChIKey

ILGODMRZDJWLOV-UHFFFAOYSA-N

Compound name

2-tert-butyl-5-propyl-1,3-dioxolan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.1256 Da
Monoisotopic Mass: 2.9
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]+	187.132876	141.0
[M+Na]+	209.114818	148.6
[M-H]-	185.118324	145.9
[M+NH4]+	204.159423	160.6
[M+K]+	225.088758	150.1
[M+H-H2O]+	169.122860	137.2
[M+HCOO]-	231.123801	160.5
[M+CH3COO]-	245.139451	182.5
[M+Na-2H]-	207.100266	146.2
[M]+	186.12505142	144.2
[M]-	186.12614858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe