CID 447042

4-amino-1-methyl-1h-pyrrole-2-carboxamide hydrochloride

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN1C=C(C=C1C(=O)N)N
InChI
InChI=1S/C6H9N3O/c1-9-3-4(7)2-5(9)6(8)10/h2-3H,7H2,1H3,(H2,8,10)
InChIKey
VFWAWGNLESCBDG-UHFFFAOYSA-N
Compound name
4-amino-1-methylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

139.07455 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.1
[M+Na]+ 162.063768 135.8
[M-H]- 138.067274 129.4
[M+NH4]+ 157.108373 148.4
[M+K]+ 178.037708 134.3
[M+H-H2O]+ 122.071810 120.9
[M+HCOO]- 184.072751 152.3
[M+CH3COO]- 198.088401 177.7
[M+Na-2H]- 160.049216 130.5
[M]+ 139.07400142 124.4
[M]- 139.07509858 124.4
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

patents stripe