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

163
Patents

141.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 125.4
[M+Na]+ 164.03181 134.0
[M-H]- 140.03531 129.8
[M+NH4]+ 159.07641 147.0
[M+K]+ 180.00575 134.8
[M+H-H2O]+ 124.03985 120.2
[M+HCOO]- 186.04079 150.9
[M+CH3COO]- 200.05644 172.9
[M+Na-2H]- 162.01726 131.2
[M]+ 141.04204 126.9
[M]- 141.04314 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