CID 13096561

4416-85-7

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CCOC(C)OCC1CO1

InChI

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

InChIKey

LKOYNWCKHRXSKP-UHFFFAOYSA-N

Compound name

2-(1-ethoxyethoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 225
Patents: 146.0943 Da
Monoisotopic Mass: 0.5
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	131.9
[M+Na]+	169.083518	140.6
[M-H]-	145.087024	137.3
[M+NH4]+	164.128123	147.4
[M+K]+	185.057458	141.5
[M+H-H2O]+	129.091560	125.8
[M+HCOO]-	191.092501	154.4
[M+CH3COO]-	205.108151	178.9
[M+Na-2H]-	167.068966	138.8
[M]+	146.09375142	139.0
[M]-	146.09484858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe