CID 371777

Nsc646221

Structural Information

Molecular Formula

C₁₀H₁₈O₃

SMILES

CCOC(C#CC)(OCC)OCC

InChI

InChI=1S/C10H18O3/c1-5-9-10(11-6-2,12-7-3)13-8-4/h6-8H2,1-4H3

InChIKey

CFBMFWCFXFHOKD-UHFFFAOYSA-N

Compound name

1,1,1-triethoxybut-2-yne

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.1256 Da
Monoisotopic Mass: 1.6
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]+	187.13288	140.3
[M+Na]+	209.11482	148.9
[M-H]-	185.11832	140.0
[M+NH4]+	204.15942	158.4
[M+K]+	225.08876	148.4
[M+H-H2O]+	169.12286	129.8
[M+HCOO]-	231.12380	156.9
[M+CH3COO]-	245.13945	191.2
[M+Na-2H]-	207.10027	145.6
[M]+	186.12505	140.6
[M]-	186.12615	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.