CID 72569818

3-hydroxy-4-butanolide

Structural Information

Molecular Formula
C10H16O8
SMILES
C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2
InChIKey
MQEPWBMWFIVRPS-UHFFFAOYSA-N
Compound name
4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

36
References

105
Patents

264.0845 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09178 153.7
[M+Na]+ 287.07372 159.0
[M-H]- 263.07722 156.3
[M+NH4]+ 282.11832 166.6
[M+K]+ 303.04766 159.5
[M+H-H2O]+ 247.08176 148.9
[M+HCOO]- 309.08270 166.6
[M+CH3COO]- 323.09835 185.9
[M+Na-2H]- 285.05917 154.2
[M]+ 264.08395 152.0
[M]- 264.08505 152.0
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.