CID 518748

N-(2-furoyl)glycine methyl ester

Structural Information

Molecular Formula
C8H9NO4
SMILES
COC(=O)CNC(=O)C1=CC=CO1
InChI
InChI=1S/C8H9NO4/c1-12-7(10)5-9-8(11)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,9,11)
InChIKey
MPRFBNLQEYNYQK-UHFFFAOYSA-N
Compound name
methyl 2-(furan-2-carbonylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

183.05316 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 138.3
[M+Na]+ 206.04238 146.9
[M+NH4]+ 201.08698 144.5
[M+K]+ 222.01632 145.6
[M-H]- 182.04588 139.2
[M+Na-2H]- 204.02783 141.7
[M]+ 183.05261 139.3
[M]- 183.05371 139.3
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