CID 20585326

870997-87-8

Structural Information

Molecular Formula
C7H9N3O
SMILES
CNC(=O)C1=C(N=CC=C1)N
InChI
InChI=1S/C7H9N3O/c1-9-7(11)5-3-2-4-10-6(5)8/h2-4H,1H3,(H2,8,10)(H,9,11)
InChIKey
KOAUKLIDSVHLCP-UHFFFAOYSA-N
Compound name
2-amino-N-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

151.07455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 130.1
[M+Na]+ 174.06377 137.8
[M-H]- 150.06727 132.5
[M+NH4]+ 169.10837 149.3
[M+K]+ 190.03771 136.1
[M+H-H2O]+ 134.07181 123.4
[M+HCOO]- 196.07275 155.0
[M+CH3COO]- 210.08840 179.5
[M+Na-2H]- 172.04922 137.1
[M]+ 151.07400 127.7
[M]- 151.07510 127.7
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