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

6
Patents

108.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.06480 115.1
[M+Na]+ 131.04674 132.2
[M-H]- 107.05024 121.6
[M+NH4]+ 126.09134 134.5
[M+K]+ 147.02068 126.1
[M+H-H2O]+ 91.054780 107.0
[M+HCOO]- 153.05572 133.6
[M+CH3COO]- 167.07137 130.4
[M+Na-2H]- 129.03219 123.7
[M]+ 108.05697 114.3
[M]- 108.05807 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