CID 130114929

3-ethynyloxetane

Structural Information

Molecular Formula
C5H6O
SMILES
C#CC1COC1
InChI
InChI=1S/C5H6O/c1-2-5-3-6-4-5/h1,5H,3-4H2
InChIKey
XUMRITXCAKXWFU-UHFFFAOYSA-N
Compound name
3-ethynyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

82.04186 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 112.6
[M+Na]+ 105.03108 120.3
[M+NH4]+ 100.07568 115.0
[M+K]+ 121.00502 114.2
[M-H]- 81.034584 105.3
[M+Na-2H]- 103.01653 113.7
[M]+ 82.041311 109.8
[M]- 82.042409 109.8
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