CID 13940368

76964-27-7

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCC1(OCCO1)CCO

InChI

InChI=1S/C7H14O3/c1-2-7(3-4-8)9-5-6-10-7/h8H,2-6H2,1H3

InChIKey

AQJAMJORJVLCHJ-UHFFFAOYSA-N

Compound name

2-(2-ethyl-1,3-dioxolan-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 146.0943 Da
Monoisotopic Mass: 0.3
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	129.5
[M+Na]+	169.083518	136.0
[M-H]-	145.087024	132.6
[M+NH4]+	164.128123	151.1
[M+K]+	185.057458	137.8
[M+H-H2O]+	129.091560	125.7
[M+HCOO]-	191.092501	149.7
[M+CH3COO]-	205.108151	169.2
[M+Na-2H]-	167.068966	137.3
[M]+	146.09375142	130.4
[M]-	146.09484858	130.4

Literature stripe

literature stripe

Patent stripe

patents stripe