CID 12225167

4-ethoxybut-1-yne

Structural Information

Molecular Formula
C6H10O
SMILES
CCOCCC#C
InChI
InChI=1S/C6H10O/c1-3-5-6-7-4-2/h1H,4-6H2,2H3
InChIKey
WAPNRRHIEGNDKL-UHFFFAOYSA-N
Compound name
4-ethoxybut-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

98.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 116.0
[M+Na]+ 121.06238 125.8
[M-H]- 97.065890 116.1
[M+NH4]+ 116.10699 137.2
[M+K]+ 137.03632 124.9
[M+H-H2O]+ 81.070426 106.1
[M+HCOO]- 143.07137 134.7
[M+CH3COO]- 157.08702 177.3
[M+Na-2H]- 119.04783 123.0
[M]+ 98.072617 113.0
[M]- 98.073715 113.0
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