CID 10034582

2-ethynyloxolane

Structural Information

Molecular Formula
C6H8O
SMILES
C#CC1CCCO1
InChI
InChI=1S/C6H8O/c1-2-6-4-3-5-7-6/h1,6H,3-5H2
InChIKey
DPVDWZKEDJNHKJ-UHFFFAOYSA-N
Compound name
2-ethynyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

96.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 115.2
[M+Na]+ 119.04674 125.0
[M-H]- 95.050244 117.8
[M+NH4]+ 114.09134 136.5
[M+K]+ 135.02068 123.4
[M+H-H2O]+ 79.054780 104.5
[M+HCOO]- 141.05572 132.5
[M+CH3COO]- 155.07137 173.5
[M+Na-2H]- 117.03219 121.4
[M]+ 96.056971 108.4
[M]- 96.058069 108.4
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