CID 10988562

2615-84-1

Structural Information

Molecular Formula

C₁₄H₃₁NO₂

SMILES

CCCCCCCCCCC(CNCCO)O

InChI

InChI=1S/C14H31NO2/c1-2-3-4-5-6-7-8-9-10-14(17)13-15-11-12-16/h14-17H,2-13H2,1H3

InChIKey

IBJKVVLQRFTGBL-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethylamino)dodecan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 203
Patents: 245.23547 Da
Monoisotopic Mass: 3.5
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]+	246.242746	166.7
[M+Na]+	268.224688	168.5
[M-H]-	244.228194	162.5
[M+NH4]+	263.269293	182.4
[M+K]+	284.198628	165.7
[M+H-H2O]+	228.232730	160.4
[M+HCOO]-	290.233671	185.2
[M+CH3COO]-	304.249321	195.7
[M+Na-2H]-	266.210136	167.3
[M]+	245.23492142	168.5
[M]-	245.23601858	168.5

Literature stripe

literature stripe

Patent stripe

patents stripe