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]+ 141.090996 125.5
[M+Na]+ 163.072938 135.6
[M-H]- 139.076444 128.2
[M+NH4]+ 158.117543 147.0
[M+K]+ 179.046878 133.4
[M+H-H2O]+ 123.080980 115.2
[M+HCOO]- 185.081921 142.5
[M+CH3COO]- 199.097571 180.3
[M+Na-2H]- 161.058386 131.9
[M]+ 140.08317142 120.9
[M]- 140.08426858 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.