CID 135392460

6-ethynyl-3-oxabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C7H8O
SMILES
C#CC1C2C1COC2
InChI
InChI=1S/C7H8O/c1-2-5-6-3-8-4-7(5)6/h1,5-7H,3-4H2
InChIKey
PXHPTQXRTGMFMH-UHFFFAOYSA-N
Compound name
6-ethynyl-3-oxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

108.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.064796 115.1
[M+Na]+ 131.046738 132.2
[M-H]- 107.050244 121.6
[M+NH4]+ 126.091343 134.5
[M+K]+ 147.020678 126.1
[M+H-H2O]+ 91.054780 107.0
[M+HCOO]- 153.055721 133.6
[M+CH3COO]- 167.071371 130.4
[M+Na-2H]- 129.032186 123.7
[M]+ 108.05697142 114.3
[M]- 108.05806858 114.3
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