CID 138007640

3-(methoxycarbonyl)-4h-furo[3,2-b]pyrrole-5-carboxylic acid

Structural Information

Molecular Formula
C9H7NO5
SMILES
COC(=O)C1=COC2=C1NC(=C2)C(=O)O
InChI
InChI=1S/C9H7NO5/c1-14-9(13)4-3-15-6-2-5(8(11)12)10-7(4)6/h2-3,10H,1H3,(H,11,12)
InChIKey
FGOWTRCZTORGBP-UHFFFAOYSA-N
Compound name
3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.03242 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.03970 141.0
[M+Na]+ 232.02164 150.5
[M+NH4]+ 227.06624 146.6
[M+K]+ 247.99558 152.1
[M-H]- 208.02514 139.9
[M+Na-2H]- 230.00709 142.5
[M]+ 209.03187 141.5
[M]- 209.03297 141.5
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.