CID 59535

102571-42-6

Structural Information

Molecular Formula

C₁₆H₃₆NO₂

SMILES

CCCCCCCCCCC[N+](C)(CCO)CCO

InChI

InChI=1S/C16H36NO2/c1-3-4-5-6-7-8-9-10-11-12-17(2,13-15-18)14-16-19/h18-19H,3-16H2,1-2H3/q+1

InChIKey

YZJHRQMTMWWMEX-UHFFFAOYSA-N

Compound name

bis(2-hydroxyethyl)-methyl-undecylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.2746 Da
Monoisotopic Mass: 4.0
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]+	275.28188	170.3
[M+Na]+	297.26382	179.1
[M+NH4]+	292.30842	177.2
[M+K]+	313.23776	173.1
[M-H]-	273.26732	170.6
[M+Na-2H]-	295.24927	172.2
[M]+	274.27405	171.7
[M]-	274.27515	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe