CID 55292096

3-amino-3-(pyridin-2-yl)propan-1-ol

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1=CC=NC(=C1)C(CCO)N
InChI
InChI=1S/C8H12N2O/c9-7(4-6-11)8-3-1-2-5-10-8/h1-3,5,7,11H,4,6,9H2
InChIKey
IHEKDUZNUUGMPX-UHFFFAOYSA-N
Compound name
3-amino-3-pyridin-2-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

152.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 132.4
[M+Na]+ 175.084178 138.7
[M-H]- 151.087684 132.7
[M+NH4]+ 170.128783 150.8
[M+K]+ 191.058118 136.5
[M+H-H2O]+ 135.092220 125.8
[M+HCOO]- 197.093161 154.1
[M+CH3COO]- 211.108811 175.3
[M+Na-2H]- 173.069626 138.7
[M]+ 152.09441142 129.6
[M]- 152.09550858 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

patents stripe