CID 91647640

2-(4-hydroxyoxan-4-yl)furan-3-carboxylic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
C1COCCC1(C2=C(C=CO2)C(=O)O)O
InChI
InChI=1S/C10H12O5/c11-9(12)7-1-4-15-8(7)10(13)2-5-14-6-3-10/h1,4,13H,2-3,5-6H2,(H,11,12)
InChIKey
GVFRNXXKJPMONK-UHFFFAOYSA-N
Compound name
2-(4-hydroxyoxan-4-yl)furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06847 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 142.9
[M+Na]+ 235.05769 148.9
[M-H]- 211.06119 148.1
[M+NH4]+ 230.10229 160.8
[M+K]+ 251.03163 149.7
[M+H-H2O]+ 195.06573 138.3
[M+HCOO]- 257.06667 160.4
[M+CH3COO]- 271.08232 177.4
[M+Na-2H]- 233.04314 148.2
[M]+ 212.06792 141.3
[M]- 212.06902 141.3
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.