CID 6427121

3-ethoxyprop-1-yne

Structural Information

Molecular Formula
C5H8O
SMILES
CCOCC#C
InChI
InChI=1S/C5H8O/c1-3-5-6-4-2/h1H,4-5H2,2H3
InChIKey
ADJMUEKUQLFLQP-UHFFFAOYSA-N
Compound name
3-ethoxyprop-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

495
Patents

84.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 114.1
[M+Na]+ 107.04674 125.4
[M+NH4]+ 102.09134 119.4
[M+K]+ 123.02068 116.8
[M-H]- 83.050244 106.5
[M+Na-2H]- 105.03219 116.7
[M]+ 84.056971 112.6
[M]- 84.058069 112.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe