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]+ 210.039696 139.9
[M+Na]+ 232.021638 150.0
[M-H]- 208.025144 142.5
[M+NH4]+ 227.066243 159.4
[M+K]+ 247.995578 149.3
[M+H-H2O]+ 192.029680 135.2
[M+HCOO]- 254.030621 161.4
[M+CH3COO]- 268.046271 178.7
[M+Na-2H]- 230.007086 143.6
[M]+ 209.03187142 144.2
[M]- 209.03296858 144.2
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.