CID 573553

1h-pyrrole-2-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

11
References

6206
Patents

110.04801 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 119.6
[M+Na]+ 133.03723 127.3
[M-H]- 109.04073 120.4
[M+NH4]+ 128.08183 141.4
[M+K]+ 149.01117 125.6
[M+H-H2O]+ 93.045270 113.7
[M+HCOO]- 155.04621 143.2
[M+CH3COO]- 169.06186 165.4
[M+Na-2H]- 131.02268 125.1
[M]+ 110.04746 115.6
[M]- 110.04856 115.6
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