CID 26730

14548-19-7

Structural Information

Molecular Formula

C₉H₂₀NO₃

SMILES

CCOC(=O)C[C@H](C[N+](C)(C)C)O

InChI

InChI=1S/C9H20NO3/c1-5-13-9(12)6-8(11)7-10(2,3)4/h8,11H,5-7H2,1-4H3/q+1/t8-/m1/s1

InChIKey

LIVZKOLXSFTCAZ-MRVPVSSYSA-N

Compound name

[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 190.14432 Da
Monoisotopic Mass: -0.1
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]+	191.15160	141.6
[M+Na]+	213.13354	147.1
[M-H]-	189.13704	142.1
[M+NH4]+	208.17814	161.1
[M+K]+	229.10748	142.4
[M+H-H2O]+	173.14158	139.8
[M+HCOO]-	235.14252	162.5
[M+CH3COO]-	249.15817	180.3
[M+Na-2H]-	211.11899	148.2
[M]+	190.14377	143.2
[M]-	190.14487	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe