CID 92614

1,1'-(tetradecylimino)dipropan-2-ol

Structural Information

Molecular Formula

C₂₀H₄₃NO₂

SMILES

CCCCCCCCCCCCCCN(CC(C)O)CC(C)O

InChI

InChI=1S/C20H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21(17-19(2)22)18-20(3)23/h19-20,22-23H,4-18H2,1-3H3

InChIKey

NMEWVFFBYQFTLK-UHFFFAOYSA-N

Compound name

1-[2-hydroxypropyl(tetradecyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 126
Patents: 329.32938 Da
Monoisotopic Mass: 6.4
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]+	330.336656	195.1
[M+Na]+	352.318598	194.4
[M-H]-	328.322104	191.4
[M+NH4]+	347.363203	208.0
[M+K]+	368.292538	192.0
[M+H-H2O]+	312.326640	187.7
[M+HCOO]-	374.327581	211.2
[M+CH3COO]-	388.343231	217.8
[M+Na-2H]-	350.304046	190.5
[M]+	329.32883142	199.8
[M]-	329.32992858	199.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe