CID 66204127

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08987 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 136.3
[M+Na]+ 191.07909 141.8
[M-H]- 167.08259 135.2
[M+NH4]+ 186.12369 153.2
[M+K]+ 207.05303 139.8
[M+H-H2O]+ 151.08713 129.8
[M+HCOO]- 213.08807 155.7
[M+CH3COO]- 227.10372 175.9
[M+Na-2H]- 189.06454 140.8
[M]+ 168.08932 132.4
[M]- 168.09042 132.4
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.