CID 75481476

4h,6h,7h-furo[3,4-c]pyran-1-carboxylic acid

Structural Information

Molecular Formula
C8H8O4
SMILES
C1COCC2=COC(=C21)C(=O)O
InChI
InChI=1S/C8H8O4/c9-8(10)7-6-1-2-11-3-5(6)4-12-7/h4H,1-3H2,(H,9,10)
InChIKey
VNRIWUGFSOGKTL-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.04225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 130.2
[M+Na]+ 191.03147 137.8
[M-H]- 167.03497 134.7
[M+NH4]+ 186.07607 150.0
[M+K]+ 207.00541 138.8
[M+H-H2O]+ 151.03951 125.8
[M+HCOO]- 213.04045 149.5
[M+CH3COO]- 227.05610 173.4
[M+Na-2H]- 189.01692 137.3
[M]+ 168.04170 130.6
[M]- 168.04280 130.6
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.