CID 45790120

Methyl 3-aminofuran-2-carboxylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
COC(=O)C1=C(C=CO1)N
InChI
InChI=1S/C6H7NO3/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3
InChIKey
UTLPWTWCOSOPMX-UHFFFAOYSA-N
Compound name
methyl 3-aminofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

141.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 125.4
[M+Na]+ 164.031808 134.0
[M-H]- 140.035314 129.8
[M+NH4]+ 159.076413 147.0
[M+K]+ 180.005748 134.8
[M+H-H2O]+ 124.039850 120.2
[M+HCOO]- 186.040791 150.9
[M+CH3COO]- 200.056441 172.9
[M+Na-2H]- 162.017256 131.2
[M]+ 141.04204142 126.9
[M]- 141.04313858 126.9
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

patents stripe