CID 643251

3-hydroxy-n-propylpyridine-2-carboxamide

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CCCNC(=O)C1=C(C=CC=N1)O
InChI
InChI=1S/C9H12N2O2/c1-2-5-11-9(13)8-7(12)4-3-6-10-8/h3-4,6,12H,2,5H2,1H3,(H,11,13)
InChIKey
ZUALYAKXSGNPKJ-UHFFFAOYSA-N
Compound name
3-hydroxy-N-propylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

180.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.4
[M+Na]+ 203.079088 145.5
[M-H]- 179.082594 139.5
[M+NH4]+ 198.123693 156.2
[M+K]+ 219.053028 143.4
[M+H-H2O]+ 163.087130 131.7
[M+HCOO]- 225.088071 160.9
[M+CH3COO]- 239.103721 180.7
[M+Na-2H]- 201.064536 144.5
[M]+ 180.08932142 138.0
[M]- 180.09041858 138.0
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