CID 22594387

1100987-19-6

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

151
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]+ 119.046738 125.0
[M-H]- 95.050244 117.8
[M+NH4]+ 114.091343 136.5
[M+K]+ 135.020678 123.4
[M+H-H2O]+ 79.054780 104.5
[M+HCOO]- 141.055721 132.5
[M+CH3COO]- 155.071371 173.5
[M+Na-2H]- 117.032186 121.4
[M]+ 96.05697142 108.4
[M]- 96.05806858 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