CID 22594387

3-ethynyloxolane

Structural Information

Molecular Formula
C6H8O
SMILES
C#CC1CCOC1
InChI
InChI=1S/C6H8O/c1-2-6-3-4-7-5-6/h1,6H,3-5H2
InChIKey
YHAJZHXJKUOHJZ-UHFFFAOYSA-N
Compound name
3-ethynyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

96.05752 Da
Monoisotopic Mass

0.6
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

No literature data available for this compound.

Patent stripe

patents stripe