CID 13800307

N-(2-aminoethyl)-3-hydroxypyridine-2-carboxamide

Structural Information

Molecular Formula
C8H11N3O2
SMILES
C1=CC(=C(N=C1)C(=O)NCCN)O
InChI
InChI=1S/C8H11N3O2/c9-3-5-11-8(13)7-6(12)2-1-4-10-7/h1-2,4,12H,3,5,9H2,(H,11,13)
InChIKey
ZXTXADWNRQCBJW-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-3-hydroxypyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

181.08513 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.092406 137.8
[M+Na]+ 204.074348 144.5
[M-H]- 180.077854 138.5
[M+NH4]+ 199.118953 154.9
[M+K]+ 220.048288 142.2
[M+H-H2O]+ 164.082390 130.8
[M+HCOO]- 226.083331 161.0
[M+CH3COO]- 240.098981 182.2
[M+Na-2H]- 202.059796 143.8
[M]+ 181.08458142 135.3
[M]- 181.08567858 135.3
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