CID 10855516

5-cyanofuran-2-carboxylic acid

Structural Information

Molecular Formula
C6H3NO3
SMILES
C1=C(OC(=C1)C(=O)O)C#N
InChI
InChI=1S/C6H3NO3/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,(H,8,9)
InChIKey
HHHCADSYQQJUGV-UHFFFAOYSA-N
Compound name
5-cyanofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

166
Patents

137.01129 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.01857 124.6
[M+Na]+ 160.00051 135.6
[M-H]- 136.00401 127.6
[M+NH4]+ 155.04511 143.9
[M+K]+ 175.97445 134.8
[M+H-H2O]+ 120.00855 113.0
[M+HCOO]- 182.00949 144.7
[M+CH3COO]- 196.02514 181.7
[M+Na-2H]- 157.98596 130.4
[M]+ 137.01074 120.9
[M]- 137.01184 120.9
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