CID 13679040

3-ethoxybut-1-yne

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CCOC(C)C#C

InChI

InChI=1S/C6H10O/c1-4-6(3)7-5-2/h1,6H,5H2,2-3H3

InChIKey

MQHNYRINDRJNQK-UHFFFAOYSA-N

Compound name

3-ethoxybut-1-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 89
Patents: 98.073166 Da
Monoisotopic Mass: 1.0
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]+	99.080442	117.2
[M+Na]+	121.062384	126.8
[M-H]-	97.065890	117.3
[M+NH4]+	116.106989	138.4
[M+K]+	137.036324	126.2
[M+H-H2O]+	81.070426	107.3
[M+HCOO]-	143.071367	135.0
[M+CH3COO]-	157.087017	178.0
[M+Na-2H]-	119.047832	122.9
[M]+	98.07261742	113.5
[M]-	98.07371458	113.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe