CID 18519354

Schembl2853838

Structural Information

Molecular Formula

C₂₄H₅₂NO

SMILES

CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C

InChI

InChI=1S/C24H52NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-24-21-22-25(2,3)4/h5-24H2,1-4H3/q+1

InChIKey

OWMLFDGBZCHKOL-UHFFFAOYSA-N

Compound name

trimethyl(3-octadecoxypropyl)azanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 732
Patents: 370.40488 Da
Monoisotopic Mass: 9.3
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]+	371.412156	206.3
[M+Na]+	393.394098	206.2
[M-H]-	369.397604	205.1
[M+NH4]+	388.438703	225.2
[M+K]+	409.368038	197.3
[M+H-H2O]+	353.402140	201.4
[M+HCOO]-	415.403081	243.8
[M+CH3COO]-	429.418731	224.9
[M+Na-2H]-	391.379546	207.6
[M]+	370.40433142	214.9
[M]-	370.40542858	214.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe