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

35
References

103
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 155.0
[M+Na]+ 287.07372 161.5
[M+NH4]+ 282.11832 159.0
[M+K]+ 303.04766 163.3
[M-H]- 263.07722 155.7
[M+Na-2H]- 285.05917 153.1
[M]+ 264.08395 155.4
[M]- 264.08505 155.4
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