CID 75481836

6-[(cyclopropylmethyl)amino]pyridin-3-ol

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

C1CC1CNC2=NC=C(C=C2)O

InChI

InChI=1S/C9H12N2O/c12-8-3-4-9(11-6-8)10-5-7-1-2-7/h3-4,6-7,12H,1-2,5H2,(H,10,11)

InChIKey

JOFKVBXNGOZBMU-UHFFFAOYSA-N

Compound name

6-(cyclopropylmethylamino)pyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 164.09496 Da
Monoisotopic Mass: 1.6
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]+	165.102236	134.0
[M+Na]+	187.084178	143.1
[M-H]-	163.087684	139.2
[M+NH4]+	182.128783	147.8
[M+K]+	203.058118	139.3
[M+H-H2O]+	147.092220	126.9
[M+HCOO]-	209.093161	157.8
[M+CH3COO]-	223.108811	181.3
[M+Na-2H]-	185.069626	141.9
[M]+	164.09441142	134.9
[M]-	164.09550858	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe