CID 131750886

5-(2-hydroxyethylidene)-4-(hydroxymethyl)-2(5h)-furanone, 9ci

Structural Information

Molecular Formula
C7H8O4
SMILES
C\1=C(C(=O)O/C1=C/CO)CO
InChI
InChI=1S/C7H8O4/c8-2-1-6-3-5(4-9)7(10)11-6/h1,3,8-9H,2,4H2/b6-1+
InChIKey
LYJDVGNTDYPSTE-LZCJLJQNSA-N
Compound name
(5E)-5-(2-hydroxyethylidene)-3-(hydroxymethyl)furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.04225 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 128.8
[M+Na]+ 179.03147 137.4
[M-H]- 155.03497 130.7
[M+NH4]+ 174.07607 149.1
[M+K]+ 195.00541 136.2
[M+H-H2O]+ 139.03951 124.5
[M+HCOO]- 201.04045 150.5
[M+CH3COO]- 215.05610 168.6
[M+Na-2H]- 177.01692 133.6
[M]+ 156.04170 129.1
[M]- 156.04280 129.1
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.