CID 34177442

2287247-52-1

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1=CC(=CN=C1)[C@@H](CCO)N
InChI
InChI=1S/C8H12N2O/c9-8(3-5-11)7-2-1-4-10-6-7/h1-2,4,6,8,11H,3,5,9H2/t8-/m1/s1
InChIKey
MHDKZNTVSJLQHY-MRVPVSSYSA-N
Compound name
(3R)-3-amino-3-pyridin-3-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.09496 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 132.1
[M+Na]+ 175.08418 143.0
[M+NH4]+ 170.12878 139.9
[M+K]+ 191.05812 137.7
[M-H]- 151.08768 133.4
[M+Na-2H]- 173.06963 138.4
[M]+ 152.09441 133.7
[M]- 152.09551 133.7
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.