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

21
Patents

132.04225 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.049526 123.6
[M+Na]+ 155.031468 130.5
[M-H]- 131.034974 125.2
[M+NH4]+ 150.076073 144.4
[M+K]+ 171.005408 131.0
[M+H-H2O]+ 115.039510 119.4
[M+HCOO]- 177.040451 143.3
[M+CH3COO]- 191.056101 164.1
[M+Na-2H]- 153.016916 127.9
[M]+ 132.04170142 121.5
[M]- 132.04279858 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