CID 130760623

(2r,3s,5s)-5-ethynyl-2-(hydroxymethyl)oxolan-3-ol

Structural Information

Molecular Formula
C7H10O3
SMILES
C#C[C@@H]1C[C@@H]([C@H](O1)CO)O
InChI
InChI=1S/C7H10O3/c1-2-5-3-6(9)7(4-8)10-5/h1,5-9H,3-4H2/t5-,6+,7-/m1/s1
InChIKey
UEUAGEBCJFIFCU-DSYKOEDSSA-N
Compound name
(2R,3S,5S)-5-ethynyl-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.06299 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 126.0
[M+Na]+ 165.05221 136.0
[M-H]- 141.05571 126.6
[M+NH4]+ 160.09681 144.7
[M+K]+ 181.02615 133.7
[M+H-H2O]+ 125.06025 115.8
[M+HCOO]- 187.06119 140.7
[M+CH3COO]- 201.07684 177.1
[M+Na-2H]- 163.03766 129.6
[M]+ 142.06244 119.4
[M]- 142.06354 119.4
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

No patent data available for this compound.