CID 54294833

Refchem:471815

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCC1OCC(O1)COC

InChI

InChI=1S/C7H14O3/c1-3-7-9-5-6(10-7)4-8-2/h6-7H,3-5H2,1-2H3

InChIKey

SABNURRHUICELW-UHFFFAOYSA-N

Compound name

2-ethyl-4-(methoxymethyl)-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 146.0943 Da
Monoisotopic Mass: 0.7
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]+	147.101576	129.7
[M+Na]+	169.083518	136.7
[M-H]-	145.087024	134.3
[M+NH4]+	164.128123	150.4
[M+K]+	185.057458	139.2
[M+H-H2O]+	129.091560	125.2
[M+HCOO]-	191.092501	151.5
[M+CH3COO]-	205.108151	173.4
[M+Na-2H]-	167.068966	136.1
[M]+	146.09375142	132.6
[M]-	146.09484858	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe