CID 12441457

5-carbamoylfuran-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

155.02185 Da
Monoisotopic Mass

0.1
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

literature stripe

Patent stripe

patents stripe