CID 27819

(3-hydroxypropyl)trimethylammonium chloride acetate

Structural Information

Molecular Formula

C₈H₁₈NO₂

SMILES

CC(=O)OCCC[N+](C)(C)C

InChI

InChI=1S/C8H18NO2/c1-8(10)11-7-5-6-9(2,3)4/h5-7H2,1-4H3/q+1

InChIKey

PTWORKWWRNMXTK-UHFFFAOYSA-N

Compound name

3-acetyloxypropyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 9
Patents: 160.13376 Da
Monoisotopic Mass: 0.5
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]+	161.14104	134.0
[M+Na]+	183.12298	145.3
[M+NH4]+	178.16758	142.6
[M+K]+	199.09692	141.2
[M-H]-	159.12648	135.2
[M+Na-2H]-	181.10843	138.7
[M]+	160.13321	136.1
[M]-	160.13431	136.1

Literature stripe

literature stripe

Patent stripe

patents stripe