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]+ 143.070266 126.0
[M+Na]+ 165.052208 136.0
[M-H]- 141.055714 126.6
[M+NH4]+ 160.096813 144.7
[M+K]+ 181.026148 133.7
[M+H-H2O]+ 125.060250 115.8
[M+HCOO]- 187.061191 140.7
[M+CH3COO]- 201.076841 177.1
[M+Na-2H]- 163.037656 129.6
[M]+ 142.06244142 119.4
[M]- 142.06353858 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.