CID 153386581

3-(prop-2-yn-1-yl)oxetane

Structural Information

Molecular Formula
C6H8O
SMILES
C#CCC1COC1
InChI
InChI=1S/C6H8O/c1-2-3-6-4-7-5-6/h1,6H,3-5H2
InChIKey
HQINVMXXAPFZPV-UHFFFAOYSA-N
Compound name
3-prop-2-ynyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

96.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 105.6
[M+Na]+ 119.04674 114.0
[M-H]- 95.050244 108.8
[M+NH4]+ 114.09134 119.8
[M+K]+ 135.02068 117.5
[M+H-H2O]+ 79.054780 91.4
[M+HCOO]- 141.05572 122.3
[M+CH3COO]- 155.07137 178.7
[M+Na-2H]- 117.03219 114.0
[M]+ 96.056971 108.5
[M]- 96.058069 108.5
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

patents stripe