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]+ 136.050536 129.1
[M+Na]+ 158.032478 138.8
[M-H]- 134.035984 129.6
[M+NH4]+ 153.077083 147.7
[M+K]+ 174.006418 136.3
[M+H-H2O]+ 118.040520 116.1
[M+HCOO]- 180.041461 148.5
[M+CH3COO]- 194.057111 184.2
[M+Na-2H]- 156.017926 132.9
[M]+ 135.04271142 120.9
[M]- 135.04380858 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.