CID 66204120

2-amino-1-(pyridin-2-yl)propane-1,3-diol dihydrochloride

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1=CC=NC(=C1)C(C(CO)N)O
InChI
InChI=1S/C8H12N2O2/c9-6(5-11)8(12)7-3-1-2-4-10-7/h1-4,6,8,11-12H,5,9H2
InChIKey
XAHKBXXOJJUZQG-UHFFFAOYSA-N
Compound name
2-amino-1-pyridin-2-ylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.7
[M+Na]+ 191.07909 145.3
[M+NH4]+ 186.12369 142.5
[M+K]+ 207.05303 141.7
[M-H]- 167.08259 135.8
[M+Na-2H]- 189.06454 140.6
[M]+ 168.08932 136.7
[M]- 168.09042 136.7
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.