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 138.6
[M+Na]+ 217.04712 146.8
[M-H]- 193.05062 147.1
[M+NH4]+ 212.09172 158.8
[M+K]+ 233.02106 147.9
[M+H-H2O]+ 177.05516 134.4
[M+HCOO]- 239.05610 161.3
[M+CH3COO]- 253.07175 180.9
[M+Na-2H]- 215.03257 141.5
[M]+ 194.05735 140.8
[M]- 194.05845 140.8
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.