CID 57439012

5-carbamoylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=C(OC=C1C(=O)O)C(=O)N
InChI
InChI=1S/C6H5NO4/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2H,(H2,7,8)(H,9,10)
InChIKey
DKKSYOPQJASJHW-UHFFFAOYSA-N
Compound name
5-carbamoylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

155.02185 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 128.0
[M+Na]+ 178.01107 135.9
[M-H]- 154.01457 131.1
[M+NH4]+ 173.05567 147.9
[M+K]+ 193.98501 136.2
[M+H-H2O]+ 138.01911 122.8
[M+HCOO]- 200.02005 151.4
[M+CH3COO]- 214.03570 173.4
[M+Na-2H]- 175.99652 132.1
[M]+ 155.02130 127.8
[M]- 155.02240 127.8
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

patents stripe