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)-4-pyridinyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

209.11642 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 147.3
[M+Na]+ 232.105638 152.9
[M-H]- 208.109144 149.2
[M+NH4]+ 227.150243 163.8
[M+K]+ 248.079578 152.2
[M+H-H2O]+ 192.113680 139.9
[M+HCOO]- 254.114621 169.3
[M+CH3COO]- 268.130271 193.3
[M+Na-2H]- 230.091086 150.2
[M]+ 209.11587142 146.2
[M]- 209.11696858 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