CID 44726864

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

Structural Information

Molecular Formula
C9H7NO4
SMILES
COC(=O)C1=CC2=C(N1)C=C(O2)C=O
InChI
InChI=1S/C9H7NO4/c1-13-9(12)7-3-8-6(10-7)2-5(4-11)14-8/h2-4,10H,1H3
InChIKey
RDJJCRWCUARXEE-UHFFFAOYSA-N
Compound name
methyl 2-formyl-4H-furo[3,2-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.044776 136.2
[M+Na]+ 216.026718 147.3
[M-H]- 192.030224 140.1
[M+NH4]+ 211.071323 157.3
[M+K]+ 232.000658 146.3
[M+H-H2O]+ 176.034760 131.4
[M+HCOO]- 238.035701 160.1
[M+CH3COO]- 252.051351 177.9
[M+Na-2H]- 214.012166 141.4
[M]+ 193.03695142 141.5
[M]- 193.03804858 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

literature stripe

Patent stripe

No patent data available for this compound.