CID 3032654

1,2-diethoxyethylene

Structural Information

Molecular Formula

C₆H₁₂O₂

SMILES

CCO/C=C/OCC

InChI

InChI=1S/C6H12O2/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5+

InChIKey

HDUOBOAWDSZFTJ-AATRIKPKSA-N

Compound name

(E)-1,2-diethoxyethene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 123
Patents: 116.08373 Da
Monoisotopic Mass: 1.2
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]+	117.091006	123.2
[M+Na]+	139.072948	130.8
[M-H]-	115.076454	123.6
[M+NH4]+	134.117553	146.1
[M+K]+	155.046888	131.1
[M+H-H2O]+	99.080990	118.9
[M+HCOO]-	161.081931	147.8
[M+CH3COO]-	175.097581	169.6
[M+Na-2H]-	137.058396	130.5
[M]+	116.08318142	126.7
[M]-	116.08427858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe