CID 62856

5-acetyloxolan-2-one

Structural Information

Molecular Formula
C6H8O3
SMILES
CC(=O)C1CCC(=O)O1
InChI
InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h5H,2-3H2,1H3
InChIKey
AHLDCEZSQNGEFT-UHFFFAOYSA-N
Compound name
5-acetyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

519
Patents

128.04735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 124.2
[M+Na]+ 151.03657 134.0
[M+NH4]+ 146.08117 132.0
[M+K]+ 167.01051 131.9
[M-H]- 127.04007 125.5
[M+Na-2H]- 149.02202 127.3
[M]+ 128.04680 125.6
[M]- 128.04790 125.6
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