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

17
Patents

195.10077 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.108046 141.7
[M+Na]+ 218.089988 148.2
[M-H]- 194.093494 143.5
[M+NH4]+ 213.134593 158.8
[M+K]+ 234.063928 146.6
[M+H-H2O]+ 178.098030 134.2
[M+HCOO]- 240.098971 166.0
[M+CH3COO]- 254.114621 188.4
[M+Na-2H]- 216.075436 147.6
[M]+ 195.10022142 141.4
[M]- 195.10131858 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

patents stripe