CID 19067979

1h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C5H6N2O
SMILES
C1=CNC=C1C(=O)N
InChI
InChI=1S/C5H6N2O/c6-5(8)4-1-2-7-3-4/h1-3,7H,(H2,6,8)
InChIKey
AKWIAIDKXNKXDI-UHFFFAOYSA-N
Compound name
1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1240
Patents

110.04801 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 120.2
[M+Na]+ 133.03723 129.7
[M+NH4]+ 128.08183 127.9
[M+K]+ 149.01117 127.3
[M-H]- 109.04073 120.4
[M+Na-2H]- 131.02268 125.2
[M]+ 110.04746 121.2
[M]- 110.04856 121.2
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