CID 83816971

1547038-31-2

Structural Information

Molecular Formula
C8H7NO4
SMILES
C1CNC(=O)C2=C1OC=C2C(=O)O
InChI
InChI=1S/C8H7NO4/c10-7-6-4(8(11)12)3-13-5(6)1-2-9-7/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKey
GSTJMIFWMFSDCA-UHFFFAOYSA-N
Compound name
4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.044776 133.7
[M+Na]+ 204.026718 141.9
[M-H]- 180.030224 135.1
[M+NH4]+ 199.071323 152.4
[M+K]+ 220.000658 140.5
[M+H-H2O]+ 164.034760 128.5
[M+HCOO]- 226.035701 151.3
[M+CH3COO]- 240.051351 173.8
[M+Na-2H]- 202.012166 138.6
[M]+ 181.03695142 131.9
[M]- 181.03804858 131.9
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