CID 165589793

3-ethoxy-3-ethynyloxolane

Structural Information

Molecular Formula
C8H12O2
SMILES
CCOC1(CCOC1)C#C
InChI
InChI=1S/C8H12O2/c1-3-8(10-4-2)5-6-9-7-8/h1H,4-7H2,2H3
InChIKey
SGRLDQMYEFLEHX-UHFFFAOYSA-N
Compound name
3-ethoxy-3-ethynyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 125.5
[M+Na]+ 163.07294 135.6
[M-H]- 139.07644 128.2
[M+NH4]+ 158.11754 147.0
[M+K]+ 179.04688 133.4
[M+H-H2O]+ 123.08098 115.2
[M+HCOO]- 185.08192 142.5
[M+CH3COO]- 199.09757 180.3
[M+Na-2H]- 161.05839 131.9
[M]+ 140.08317 120.9
[M]- 140.08427 120.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.