CID 160856

6543-04-0

Structural Information

Molecular Formula

C₉H₁₆O₄

SMILES

C1COC(O1)CCCC2OCCO2

InChI

InChI=1S/C9H16O4/c1(2-8-10-4-5-11-8)3-9-12-6-7-13-9/h8-9H,1-7H2

InChIKey

WBXFMDZISMIHHR-UHFFFAOYSA-N

Compound name

2-[3-(1,3-dioxolan-2-yl)propyl]-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 70
Patents: 188.10486 Da
Monoisotopic Mass: 0.6
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]+	189.112136	141.1
[M+Na]+	211.094078	145.5
[M-H]-	187.097584	148.9
[M+NH4]+	206.138683	158.1
[M+K]+	227.068018	149.5
[M+H-H2O]+	171.102120	137.2
[M+HCOO]-	233.103061	159.6
[M+CH3COO]-	247.118711	178.1
[M+Na-2H]-	209.079526	146.3
[M]+	188.10431142	142.3
[M]-	188.10540858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe