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 132.4
[M+Na]+ 175.08418 138.7
[M-H]- 151.08768 132.7
[M+NH4]+ 170.12878 150.8
[M+K]+ 191.05812 136.5
[M+H-H2O]+ 135.09222 125.8
[M+HCOO]- 197.09316 154.1
[M+CH3COO]- 211.10881 175.3
[M+Na-2H]- 173.06963 138.7
[M]+ 152.09441 129.6
[M]- 152.09551 129.6
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.