CID 56924494

2751611-17-1

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1=CC(=CN=C1)CC(CN)O

InChI

InChI=1S/C8H12N2O/c9-5-8(11)4-7-2-1-3-10-6-7/h1-3,6,8,11H,4-5,9H2

InChIKey

QDQIFFYDUNWKKH-UHFFFAOYSA-N

Compound name

1-amino-3-pyridin-3-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 152.09496 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe