CID 21789891

Brn 4433972

Structural Information

Molecular Formula
C10H10O4
SMILES
CC(=O)[C@H]1CC(=O)O[C@@H]1C2=CC=CO2
InChI
InChI=1S/C10H10O4/c1-6(11)7-5-9(12)14-10(7)8-3-2-4-13-8/h2-4,7,10H,5H2,1H3/t7-,10+/m1/s1
InChIKey
XEBVLIGPNNLVIR-XCBNKYQSSA-N
Compound name
(4S,5S)-4-acetyl-5-(furan-2-yl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0579 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 139.2
[M+Na]+ 217.04712 149.4
[M+NH4]+ 212.09172 146.6
[M+K]+ 233.02106 149.6
[M-H]- 193.05062 143.2
[M+Na-2H]- 215.03257 142.7
[M]+ 194.05735 141.5
[M]- 194.05845 141.5
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.