CID 5072225

Methyl 5-aminofuran-2-carboxylate

Structural Information

Molecular Formula
C6H7NO3
SMILES
COC(=O)C1=CC=C(O1)N
InChI
InChI=1S/C6H7NO3/c1-9-6(8)4-2-3-5(7)10-4/h2-3H,7H2,1H3
InChIKey
KLKQGSISBRVCTK-UHFFFAOYSA-N
Compound name
methyl 5-aminofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

141.04259 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 126.3
[M+Na]+ 164.03181 136.2
[M+NH4]+ 159.07641 133.7
[M+K]+ 180.00575 134.6
[M-H]- 140.03531 128.2
[M+Na-2H]- 162.01726 130.5
[M]+ 141.04204 127.9
[M]- 141.04314 127.9
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

patents stripe