CID 102645

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

Structural Information

Molecular Formula

C₁₈H₃₉NO₂

SMILES

CCCCCCCCCCCCN(CC(C)O)CC(C)O

InChI

InChI=1S/C18H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-19(15-17(2)20)16-18(3)21/h17-18,20-21H,4-16H2,1-3H3

InChIKey

BZJZJFAPSOEUFE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 352
Patents: 301.29807 Da
Monoisotopic Mass: 5.3
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]+	302.305346	186.2
[M+Na]+	324.287288	186.4
[M-H]-	300.290794	182.9
[M+NH4]+	319.331893	200.3
[M+K]+	340.261228	184.5
[M+H-H2O]+	284.295330	179.1
[M+HCOO]-	346.296271	202.9
[M+CH3COO]-	360.311921	211.9
[M+Na-2H]-	322.272736	182.6
[M]+	301.29752142	190.1
[M]-	301.29861858	190.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe