CID 10915934

Ns00060848

Structural Information

Molecular Formula

C₁₈H₄₀NO₂

SMILES

CCCCCCCCCCCCC(C[N+](C)(C)CCO)O

InChI

InChI=1S/C18H40NO2/c1-4-5-6-7-8-9-10-11-12-13-14-18(21)17-19(2,3)15-16-20/h18,20-21H,4-17H2,1-3H3/q+1

InChIKey

ITXRJJAJYCXAPN-UHFFFAOYSA-N

Compound name

2-hydroxyethyl-(2-hydroxytetradecyl)-dimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 302.3059 Da
Monoisotopic Mass: 5.1
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]+	303.313176	182.4
[M+Na]+	325.295118	183.6
[M-H]-	301.298624	179.6
[M+NH4]+	320.339723	196.8
[M+K]+	341.269058	175.4
[M+H-H2O]+	285.303160	179.1
[M+HCOO]-	347.304101	199.3
[M+CH3COO]-	361.319751	203.8
[M+Na-2H]-	323.280566	184.9
[M]+	302.30535142	185.5
[M]-	302.30644858	185.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe