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

11
Patents

181.0375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04478 133.7
[M+Na]+ 204.02672 141.9
[M-H]- 180.03022 135.1
[M+NH4]+ 199.07132 152.4
[M+K]+ 220.00066 140.5
[M+H-H2O]+ 164.03476 128.5
[M+HCOO]- 226.03570 151.3
[M+CH3COO]- 240.05135 173.8
[M+Na-2H]- 202.01217 138.6
[M]+ 181.03695 131.9
[M]- 181.03805 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