CID 47003345

5-(acetamidomethyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C8H9NO4
SMILES
CC(=O)NCC1=CC=C(O1)C(=O)O
InChI
InChI=1S/C8H9NO4/c1-5(10)9-4-6-2-3-7(13-6)8(11)12/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChIKey
OECRLHRWMUECDA-UHFFFAOYSA-N
Compound name
5-(acetamidomethyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 137.2
[M+Na]+ 206.04238 144.4
[M-H]- 182.04588 140.5
[M+NH4]+ 201.08698 156.4
[M+K]+ 222.01632 144.6
[M+H-H2O]+ 166.05042 131.7
[M+HCOO]- 228.05136 160.6
[M+CH3COO]- 242.06701 179.4
[M+Na-2H]- 204.02783 141.3
[M]+ 183.05261 138.7
[M]- 183.05371 138.7
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

No patent data available for this compound.