CID 354310

Nsc605533

Structural Information

Molecular Formula
C9H13N3O2
SMILES
COCCNC1=CN=CC(=C1)C(=O)N
InChI
InChI=1S/C9H13N3O2/c1-14-3-2-12-8-4-7(9(10)13)5-11-6-8/h4-6,12H,2-3H2,1H3,(H2,10,13)
InChIKey
XFWBTMRLYCVSFE-UHFFFAOYSA-N
Compound name
5-(2-methoxyethylamino)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

195.10077 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 141.7
[M+Na]+ 218.08999 148.2
[M-H]- 194.09349 143.5
[M+NH4]+ 213.13459 158.8
[M+K]+ 234.06393 146.6
[M+H-H2O]+ 178.09803 134.2
[M+HCOO]- 240.09897 166.0
[M+CH3COO]- 254.11462 188.4
[M+Na-2H]- 216.07544 147.6
[M]+ 195.10022 141.4
[M]- 195.10132 141.4
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

No patent data available for this compound.