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

87
Patents

181.08513 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 137.8
[M+Na]+ 204.07435 144.5
[M-H]- 180.07785 138.5
[M+NH4]+ 199.11895 154.9
[M+K]+ 220.04829 142.2
[M+H-H2O]+ 164.08239 130.8
[M+HCOO]- 226.08333 161.0
[M+CH3COO]- 240.09898 182.2
[M+Na-2H]- 202.05980 143.8
[M]+ 181.08458 135.3
[M]- 181.08568 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