CID 15877799

6h-furo[2,3-b]pyrrole-5-carboxylic acid methyl ester

Structural Information

Molecular Formula
C8H7NO3
SMILES
COC(=O)C1=CC2=C(N1)OC=C2
InChI
InChI=1S/C8H7NO3/c1-11-8(10)6-4-5-2-3-12-7(5)9-6/h2-4,9H,1H3
InChIKey
DIXOWBBVDPNRHQ-UHFFFAOYSA-N
Compound name
methyl 6H-furo[2,3-b]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 130.1
[M+Na]+ 188.031808 140.6
[M-H]- 164.035314 133.7
[M+NH4]+ 183.076413 152.2
[M+K]+ 204.005748 140.0
[M+H-H2O]+ 148.039850 125.2
[M+HCOO]- 210.040791 154.0
[M+CH3COO]- 224.056441 172.4
[M+Na-2H]- 186.017256 136.4
[M]+ 165.04204142 134.0
[M]- 165.04313858 134.0
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.