CID 53763811

Acetamidopropyl trimonium chloride

Structural Information

Molecular Formula

C₈H₁₉N₂O

SMILES

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

InChI

InChI=1S/C8H18N2O/c1-8(11)9-6-5-7-10(2,3)4/h5-7H2,1-4H3/p+1

InChIKey

QQWYETGRFVSDQH-UHFFFAOYSA-O

Compound name

3-acetamidopropyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 311
Patents: 159.14973 Da
Monoisotopic Mass: 0.0
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]+	160.15701	134.8
[M+Na]+	182.13895	145.3
[M+NH4]+	177.18355	143.5
[M+K]+	198.11289	141.1
[M-H]-	158.14245	136.8
[M+Na-2H]-	180.12440	139.7
[M]+	159.14918	137.0
[M]-	159.15028	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe