CID 18504387

2-ethynyloxetane

Structural Information

Molecular Formula
C5H6O
SMILES
C#CC1CCO1
InChI
InChI=1S/C5H6O/c1-2-5-3-4-6-5/h1,5H,3-4H2
InChIKey
ADMZVQKLKIHRLR-UHFFFAOYSA-N
Compound name
2-ethynyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

82.04186 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 101.5
[M+Na]+ 105.031078 110.2
[M-H]- 81.034584 104.8
[M+NH4]+ 100.075683 116.2
[M+K]+ 121.005018 114.0
[M+H-H2O]+ 65.039120 87.4
[M+HCOO]- 127.040061 118.5
[M+CH3COO]- 141.055711 176.0
[M+Na-2H]- 103.016526 110.4
[M]+ 82.04131142 104.0
[M]- 82.04240858 104.0
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