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

28
Patents

139.07455 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.1
[M+Na]+ 162.06377 135.8
[M-H]- 138.06727 129.4
[M+NH4]+ 157.10837 148.4
[M+K]+ 178.03771 134.3
[M+H-H2O]+ 122.07181 120.9
[M+HCOO]- 184.07275 152.3
[M+CH3COO]- 198.08840 177.7
[M+Na-2H]- 160.04922 130.5
[M]+ 139.07400 124.4
[M]- 139.07510 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