CID 126847502

Rac-(3r,4s)-4-ethynyloxolan-3-ol

Structural Information

Molecular Formula
C6H8O2
SMILES
C#C[C@@H]1COC[C@H]1O
InChI
InChI=1S/C6H8O2/c1-2-5-3-8-4-6(5)7/h1,5-7H,3-4H2/t5-,6-/m1/s1
InChIKey
RFVUVGUBRWLVEX-PHDIDXHHSA-N
Compound name
(3S,4R)-4-ethynyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.05243 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 118.7
[M+Na]+ 135.04165 128.8
[M-H]- 111.04515 120.3
[M+NH4]+ 130.08625 138.9
[M+K]+ 151.01559 126.9
[M+H-H2O]+ 95.049690 108.3
[M+HCOO]- 157.05063 134.8
[M+CH3COO]- 171.06628 173.8
[M+Na-2H]- 133.02710 123.8
[M]+ 112.05188 111.7
[M]- 112.05298 111.7
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.