CID 162623767

Nd36haf3hz

Structural Information

Molecular Formula

C₁₂H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C12H20N2O3/c1-8(2)5-10-11(15)14(17)9(7-13-10)6-12(3,4)16/h7-8,16-17H,5-6H2,1-4H3

InChIKey

FKZKNXDBPSPVCN-UHFFFAOYSA-N

Compound name

1-hydroxy-6-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)pyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.1474 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]+	241.154676	155.9
[M+Na]+	263.136618	164.3
[M-H]-	239.140124	154.8
[M+NH4]+	258.181223	170.3
[M+K]+	279.110558	161.6
[M+H-H2O]+	223.144660	149.5
[M+HCOO]-	285.145601	172.1
[M+CH3COO]-	299.161251	190.8
[M+Na-2H]-	261.122066	159.1
[M]+	240.14685142	157.9
[M]-	240.14794858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.