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-methoxy-3-pyridinyl)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]+ 196.108046 142.7
[M+Na]+ 218.089988 149.0
[M-H]- 194.093494 144.2
[M+NH4]+ 213.134593 159.6
[M+K]+ 234.063928 147.6
[M+H-H2O]+ 178.098030 135.4
[M+HCOO]- 240.098971 165.5
[M+CH3COO]- 254.114621 188.7
[M+Na-2H]- 216.075436 146.3
[M]+ 195.10022142 140.9
[M]- 195.10131858 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.