CID 19699100

5-oxo-4h,5h,6h,7h,8h-furo[3,2-b]azepine-3-carboxylic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1CC2=C(C(=CO2)C(=O)O)NC(=O)C1
InChI
InChI=1S/C9H9NO4/c11-7-3-1-2-6-8(10-7)5(4-14-6)9(12)13/h4H,1-3H2,(H,10,11)(H,12,13)
InChIKey
FJXIXGUIQHTUSS-UHFFFAOYSA-N
Compound name
5-oxo-4,6,7,8-tetrahydrofuro[3,2-b]azepine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.05316 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.6
[M+Na]+ 218.04238 146.3
[M+NH4]+ 213.08698 144.3
[M+K]+ 234.01632 146.4
[M-H]- 194.04588 138.4
[M+Na-2H]- 216.02783 140.3
[M]+ 195.05261 139.3
[M]- 195.05371 139.3
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

patents stripe