CID 44726864

164667-55-4

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]+ 194.04478 136.2
[M+Na]+ 216.02672 147.3
[M-H]- 192.03022 140.1
[M+NH4]+ 211.07132 157.3
[M+K]+ 232.00066 146.3
[M+H-H2O]+ 176.03476 131.4
[M+HCOO]- 238.03570 160.1
[M+CH3COO]- 252.05135 177.9
[M+Na-2H]- 214.01217 141.4
[M]+ 193.03695 141.5
[M]- 193.03805 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.