CID 45091541

2260937-22-0

Structural Information

Molecular Formula
C9H13N3O2
SMILES
COC1=NC=C(C=C1)C(CC(=O)N)N
InChI
InChI=1S/C9H13N3O2/c1-14-9-3-2-6(5-12-9)7(10)4-8(11)13/h2-3,5,7H,4,10H2,1H3,(H2,11,13)
InChIKey
ZUZCSFOWJDDQTL-UHFFFAOYSA-N
Compound name
3-amino-3-(6-methoxypyridin-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 142.7
[M+Na]+ 218.08999 149.0
[M-H]- 194.09349 144.2
[M+NH4]+ 213.13459 159.6
[M+K]+ 234.06393 147.6
[M+H-H2O]+ 178.09803 135.4
[M+HCOO]- 240.09897 165.5
[M+CH3COO]- 254.11462 188.7
[M+Na-2H]- 216.07544 146.3
[M]+ 195.10022 140.9
[M]- 195.10132 140.9
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.