CID 5325915

(3r,4r)-3,4-dihydroxyoxolan-2-one

Structural Information

Molecular Formula
C4H6O4
SMILES
C1[C@H]([C@H](C(=O)O1)O)O
InChI
InChI=1S/C4H6O4/c5-2-1-8-4(7)3(2)6/h2-3,5-6H,1H2/t2-,3-/m1/s1
InChIKey
SGMJBNSHAZVGMC-PWNYCUMCSA-N
Compound name
(3R,4R)-3,4-dihydroxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

46
References

964
Patents

118.02661 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.033886 117.7
[M+Na]+ 141.015828 126.2
[M-H]- 117.019334 119.8
[M+NH4]+ 136.060433 139.5
[M+K]+ 156.989768 126.5
[M+H-H2O]+ 101.023870 114.0
[M+HCOO]- 163.024811 138.8
[M+CH3COO]- 177.040461 161.4
[M+Na-2H]- 139.001276 123.2
[M]+ 118.02606142 116.3
[M]- 118.02715858 116.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe