CID 53848115

Ec 639-259-5

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂

SMILES

CC1=CC(=O)N(C(=C1)O)CCCN(C)C

InChI

InChI=1S/C11H18N2O2/c1-9-7-10(14)13(11(15)8-9)6-4-5-12(2)3/h7-8,14H,4-6H2,1-3H3

InChIKey

GNVCLEFKUUWHPJ-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propyl]-6-hydroxy-4-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 210.13683 Da
Monoisotopic Mass: 0.6
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]+	211.14411	146.5
[M+Na]+	233.12605	155.0
[M-H]-	209.12955	149.4
[M+NH4]+	228.17065	164.4
[M+K]+	249.09999	153.3
[M+H-H2O]+	193.13409	139.7
[M+HCOO]-	255.13503	169.8
[M+CH3COO]-	269.15068	192.5
[M+Na-2H]-	231.11150	150.6
[M]+	210.13628	149.6
[M]-	210.13738	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe