CID 518948

2-sec-butyl-1,3-dioxolane

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CCC(C)C1OCCO1

InChI

InChI=1S/C7H14O2/c1-3-6(2)7-8-4-5-9-7/h6-7H,3-5H2,1-2H3

InChIKey

FRBNVSJPLIGZIP-UHFFFAOYSA-N

Compound name

2-butan-2-yl-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 130.09938 Da
Monoisotopic Mass: 1.6
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]+	131.106656	128.3
[M+Na]+	153.088598	134.2
[M-H]-	129.092104	132.6
[M+NH4]+	148.133203	149.3
[M+K]+	169.062538	136.7
[M+H-H2O]+	113.096640	123.7
[M+HCOO]-	175.097581	148.8
[M+CH3COO]-	189.113231	171.1
[M+Na-2H]-	151.074046	134.0
[M]+	130.09883142	128.7
[M]-	130.09992858	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe