CID 54443687

915125-20-1

Structural Information

Molecular Formula
C5H8O4
SMILES
C1C(C(CO1)O)C(=O)O
InChI
InChI=1S/C5H8O4/c6-4-2-9-1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)
InChIKey
WPYFKMJISQFZFP-UHFFFAOYSA-N
Compound name
4-hydroxyoxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

132.04225 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 123.6
[M+Na]+ 155.03147 130.5
[M-H]- 131.03497 125.2
[M+NH4]+ 150.07607 144.4
[M+K]+ 171.00541 131.0
[M+H-H2O]+ 115.03951 119.4
[M+HCOO]- 177.04045 143.3
[M+CH3COO]- 191.05610 164.1
[M+Na-2H]- 153.01692 127.9
[M]+ 132.04170 121.5
[M]- 132.04280 121.5
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

patents stripe