CID 5082263

Methyl 4h-furo[3,2-b]pyrrole-5-carboxylate

Structural Information

Molecular Formula
C8H7NO3
SMILES
COC(=O)C1=CC2=C(N1)C=CO2
InChI
InChI=1S/C8H7NO3/c1-11-8(10)6-4-7-5(9-6)2-3-12-7/h2-4,9H,1H3
InChIKey
LIIJOCBTGRORSY-UHFFFAOYSA-N
Compound name
methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

46
Patents

165.04259 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 130.5
[M+Na]+ 188.03181 141.7
[M+NH4]+ 183.07641 138.2
[M+K]+ 204.00575 141.2
[M-H]- 164.03531 131.4
[M+Na-2H]- 186.01726 134.5
[M]+ 165.04204 132.1
[M]- 165.04314 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe