CID 4962350

4-cyano-2-methyl-5-(1h-pyrrol-1-yl)furan-3-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O3
SMILES
CC1=C(C(=C(O1)N2C=CC=C2)C#N)C(=O)O
InChI
InChI=1S/C11H8N2O3/c1-7-9(11(14)15)8(6-12)10(16-7)13-4-2-3-5-13/h2-5H,1H3,(H,14,15)
InChIKey
VIJZLONZUHJCAO-UHFFFAOYSA-N
Compound name
4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

216.0535 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06078 143.9
[M+Na]+ 239.04272 155.5
[M+NH4]+ 234.08732 147.3
[M+K]+ 255.01666 151.4
[M-H]- 215.04622 138.8
[M+Na-2H]- 237.02817 146.8
[M]+ 216.05295 143.1
[M]- 216.05405 143.1
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.