CID 784792

625408-95-9

Structural Information

Molecular Formula
C8H9NO4
SMILES
CN(CC(=O)O)C(=O)C1=CC=CO1
InChI
InChI=1S/C8H9NO4/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)
InChIKey
XGUIRNHIRGCLJK-UHFFFAOYSA-N
Compound name
2-[furan-2-carbonyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

183.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 137.6
[M+Na]+ 206.04238 144.1
[M-H]- 182.04588 142.1
[M+NH4]+ 201.08698 157.2
[M+K]+ 222.01632 145.7
[M+H-H2O]+ 166.05042 131.8
[M+HCOO]- 228.05136 161.6
[M+CH3COO]- 242.06701 181.6
[M+Na-2H]- 204.02783 141.7
[M]+ 183.05261 140.0
[M]- 183.05371 140.0
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

patents stripe