CID 71757635

5-cyano-1h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=C(NC=C1C(=O)N)C#N
InChI
InChI=1S/C6H5N3O/c7-2-5-1-4(3-9-5)6(8)10/h1,3,9H,(H2,8,10)
InChIKey
DBVKHMOMATWFSQ-UHFFFAOYSA-N
Compound name
5-cyano-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04326 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 129.1
[M+Na]+ 158.03248 138.8
[M-H]- 134.03598 129.6
[M+NH4]+ 153.07708 147.7
[M+K]+ 174.00642 136.3
[M+H-H2O]+ 118.04052 116.1
[M+HCOO]- 180.04146 148.5
[M+CH3COO]- 194.05711 184.2
[M+Na-2H]- 156.01793 132.9
[M]+ 135.04271 120.9
[M]- 135.04381 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

No patent data available for this compound.