CID 202119

Dtxsid20996714

Structural Information

Molecular Formula

C₉H₁₈NO₂

SMILES

C[C@@H]1C(=O)C[C@@H](O1)C[N+](C)(C)C

InChI

InChI=1S/C9H18NO2/c1-7-9(11)5-8(12-7)6-10(2,3)4/h7-8H,5-6H2,1-4H3/q+1/t7-,8-/m1/s1

InChIKey

XKOQIVSZENKHPJ-HTQZYQBOSA-N

Compound name

trimethyl-[[(2R,5R)-5-methyl-4-oxooxolan-2-yl]methyl]azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 0
Patents: 172.13376 Da
Monoisotopic Mass: 0.2
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]+	173.141036	134.6
[M+Na]+	195.122978	142.0
[M-H]-	171.126484	140.6
[M+NH4]+	190.167583	156.4
[M+K]+	211.096918	137.5
[M+H-H2O]+	155.131020	133.1
[M+HCOO]-	217.131961	157.2
[M+CH3COO]-	231.147611	178.6
[M+Na-2H]-	193.108426	142.8
[M]+	172.13321142	134.7
[M]-	172.13430858	134.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.