CID 15664012

L-pyridosine

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₄

SMILES

CC1=CC(=O)C(=CN1CCCCC(C(=O)O)N)O

InChI

InChI=1S/C12H18N2O4/c1-8-6-10(15)11(16)7-14(8)5-3-2-4-9(13)12(17)18/h6-7,9,16H,2-5,13H2,1H3,(H,17,18)

InChIKey

HNGPZFLHRXCYGZ-UHFFFAOYSA-N

Compound name

2-amino-6-(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 4
Patents: 254.12666 Da
Monoisotopic Mass: -2.0
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]+	255.133936	157.3
[M+Na]+	277.115878	164.2
[M-H]-	253.119384	156.7
[M+NH4]+	272.160483	171.3
[M+K]+	293.089818	161.4
[M+H-H2O]+	237.123920	150.4
[M+HCOO]-	299.124861	176.1
[M+CH3COO]-	313.140511	194.6
[M+Na-2H]-	275.101326	157.6
[M]+	254.12611142	157.5
[M]-	254.12720858	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe