CID 149653

133550-80-8

Structural Information

Molecular Formula

C₁₆H₃₅NO₂

SMILES

CCCCCCCCCCCCNC(C)(CO)CO

InChI

InChI=1S/C16H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-16(2,14-18)15-19/h17-19H,3-15H2,1-2H3

InChIKey

QLXIHMZEFIUQPH-UHFFFAOYSA-N

Compound name

2-(dodecylamino)-2-methylpropane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 273.26678 Da
Monoisotopic Mass: 4.3
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]+	274.27406	175.0
[M+Na]+	296.25600	176.7
[M-H]-	272.25950	170.7
[M+NH4]+	291.30060	189.9
[M+K]+	312.22994	173.4
[M+H-H2O]+	256.26404	169.0
[M+HCOO]-	318.26498	192.4
[M+CH3COO]-	332.28063	201.3
[M+Na-2H]-	294.24145	176.7
[M]+	273.26623	177.8
[M]-	273.26733	177.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe