CID 35757

31230-24-7

Structural Information

Molecular Formula
C8H9NO4
SMILES
CC(=O)NC1=CC=C(O1)C(=O)OC
InChI
InChI=1S/C8H9NO4/c1-5(10)9-7-4-3-6(13-7)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKey
QNNUFCFGWWVMMX-UHFFFAOYSA-N
Compound name
methyl 5-acetamidofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

183.05316 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 136.6
[M+Na]+ 206.04238 144.4
[M-H]- 182.04588 141.5
[M+NH4]+ 201.08698 156.7
[M+K]+ 222.01632 145.5
[M+H-H2O]+ 166.05042 131.1
[M+HCOO]- 228.05136 161.6
[M+CH3COO]- 242.06701 181.2
[M+Na-2H]- 204.02783 141.3
[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