CID 439692

D-xylono-1,5-lactone

Structural Information

Molecular Formula
C5H8O5
SMILES
C1[C@H]([C@@H]([C@H](C(=O)O1)O)O)O
InChI
InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1
InChIKey
XXBSUZSONOQQGK-FLRLBIABSA-N
Compound name
(3R,4S,5R)-3,4,5-trihydroxyoxan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

353
Patents

148.03717 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.044446 125.4
[M+Na]+ 171.026388 133.0
[M-H]- 147.029894 126.1
[M+NH4]+ 166.070993 143.6
[M+K]+ 187.000328 132.9
[M+H-H2O]+ 131.034430 121.1
[M+HCOO]- 193.035371 142.7
[M+CH3COO]- 207.051021 165.9
[M+Na-2H]- 169.011836 130.4
[M]+ 148.03662142 122.4
[M]- 148.03771858 122.4
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