CID 170910157

2-ethynyl-2-methyloxetane

Structural Information

Molecular Formula
C6H8O
SMILES
CC1(CCO1)C#C
InChI
InChI=1S/C6H8O/c1-3-6(2)4-5-7-6/h1H,4-5H2,2H3
InChIKey
DQBHUMHPCWSANX-UHFFFAOYSA-N
Compound name
2-ethynyl-2-methyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

96.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 115.1
[M+Na]+ 119.04674 122.8
[M+NH4]+ 114.09134 118.5
[M+K]+ 135.02068 115.1
[M-H]- 95.050244 107.8
[M+Na-2H]- 117.03219 117.4
[M]+ 96.056971 112.5
[M]- 96.058069 112.5
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

No patent data available for this compound.