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

1
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 107.5
[M+Na]+ 119.046738 116.9
[M-H]- 95.050244 111.3
[M+NH4]+ 114.091343 123.6
[M+K]+ 135.020678 119.8
[M+H-H2O]+ 79.054780 94.4
[M+HCOO]- 141.055721 124.3
[M+CH3COO]- 155.071371 178.3
[M+Na-2H]- 117.032186 116.7
[M]+ 96.05697142 110.7
[M]- 96.05806858 110.7
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