CID 12374454

L-erythro-5-(1-hydroxyethyl)-2(5h)-furanone

Structural Information

Molecular Formula
C6H8O3
SMILES
CC(C1C=CC(=O)O1)O
InChI
InChI=1S/C6H8O3/c1-4(7)5-2-3-6(8)9-5/h2-5,7H,1H3
InChIKey
BGMOXLYBBTWIMD-UHFFFAOYSA-N
Compound name
2-(1-hydroxyethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 122.7
[M+Na]+ 151.03657 130.7
[M-H]- 127.04007 125.9
[M+NH4]+ 146.08117 144.6
[M+K]+ 167.01051 131.3
[M+H-H2O]+ 111.04461 118.4
[M+HCOO]- 173.04555 144.9
[M+CH3COO]- 187.06120 167.1
[M+Na-2H]- 149.02202 127.9
[M]+ 128.04680 122.8
[M]- 128.04790 122.8
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