CID 137699054

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

Structural Information

Molecular Formula
C6H8O2
SMILES
C#CCOC1COC1
InChI
InChI=1S/C6H8O2/c1-2-3-8-6-4-7-5-6/h1,6H,3-5H2
InChIKey
HFFLONOQLWXIGN-UHFFFAOYSA-N
Compound name
3-prop-2-ynoxyoxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

112.05243 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 107.5
[M+Na]+ 135.04165 115.6
[M-H]- 111.04515 110.6
[M+NH4]+ 130.08625 121.0
[M+K]+ 151.01559 119.7
[M+H-H2O]+ 95.049690 92.9
[M+HCOO]- 157.05063 124.4
[M+CH3COO]- 171.06628 180.4
[M+Na-2H]- 133.02710 115.9
[M]+ 112.05188 111.6
[M]- 112.05298 111.6
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