CID 82660093

2-amino-3-[2-(dimethylamino)pyridin-4-yl]propanoic acid dihydrochloride

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CN(C)C1=NC=CC(=C1)CC(C(=O)O)N
InChI
InChI=1S/C10H15N3O2/c1-13(2)9-6-7(3-4-12-9)5-8(11)10(14)15/h3-4,6,8H,5,11H2,1-2H3,(H,14,15)
InChIKey
XFSLXGZEDXYTJK-UHFFFAOYSA-N
Compound name
2-amino-3-[2-(dimethylamino)pyridin-4-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

209.11642 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 147.3
[M+Na]+ 232.10564 152.9
[M-H]- 208.10914 149.2
[M+NH4]+ 227.15024 163.8
[M+K]+ 248.07958 152.2
[M+H-H2O]+ 192.11368 139.9
[M+HCOO]- 254.11462 169.3
[M+CH3COO]- 268.13027 193.3
[M+Na-2H]- 230.09109 150.2
[M]+ 209.11587 146.2
[M]- 209.11697 146.2
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