CID 56777520

3-ethynyloxetan-3-ol

Structural Information

Molecular Formula
C5H6O2
SMILES
C#CC1(COC1)O
InChI
InChI=1S/C5H6O2/c1-2-5(6)3-7-4-5/h1,6H,3-4H2
InChIKey
VDKFNBYHNNAJBC-UHFFFAOYSA-N
Compound name
3-ethynyloxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

98.03678 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.044056 108.1
[M+Na]+ 121.025998 117.3
[M-H]- 97.029504 110.8
[M+NH4]+ 116.070603 123.4
[M+K]+ 136.999938 120.2
[M+H-H2O]+ 81.034040 95.1
[M+HCOO]- 143.034981 124.0
[M+CH3COO]- 157.050631 175.0
[M+Na-2H]- 119.011446 117.2
[M]+ 98.03623142 110.6
[M]- 98.03732858 110.6
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