CID 94599

Laurylamidopropyldimethylamine oxide

Structural Information

Molecular Formula

C₁₇H₃₆N₂O₂

SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]

InChI

InChI=1S/C17H36N2O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2,3)21/h4-16H2,1-3H3,(H,18,20)

InChIKey

JNGWKQJZIUZUPR-UHFFFAOYSA-N

Compound name

3-(dodecanoylamino)-N,N-dimethylpropan-1-amine oxide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 4261
Patents: 300.27768 Da
Monoisotopic Mass: 4.5
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]+	301.28496	178.2
[M+Na]+	323.26690	185.8
[M+NH4]+	318.31150	184.1
[M+K]+	339.24084	206.0
[M-H]-	299.27040	178.6
[M+Na-2H]-	321.25235	179.1
[M]+	300.27713	179.1
[M]-	300.27823	179.1

Literature stripe

literature stripe

Patent stripe

patents stripe