CID 2379477

1-methylpyrrole-2-carboxamide

Structural Information

Molecular Formula
C6H8N2O
SMILES
CN1C=CC=C1C(=O)N
InChI
InChI=1S/C6H8N2O/c1-8-4-2-3-5(8)6(7)9/h2-4H,1H3,(H2,7,9)
InChIKey
FLJBIGAZJFDVTC-UHFFFAOYSA-N
Compound name
1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

267
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 123.1
[M+Na]+ 147.05288 131.8
[M-H]- 123.05638 125.6
[M+NH4]+ 142.09748 145.5
[M+K]+ 163.02682 130.8
[M+H-H2O]+ 107.06092 117.2
[M+HCOO]- 169.06186 148.0
[M+CH3COO]- 183.07751 172.1
[M+Na-2H]- 145.03833 128.0
[M]+ 124.06311 121.8
[M]- 124.06421 121.8
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