CID 14932

Domine

Structural Information

Molecular Formula

C₁₇H₃₈N₂

SMILES

CCCCCCCCCCCCN(C)CCN(C)C

InChI

InChI=1S/C17H38N2/c1-5-6-7-8-9-10-11-12-13-14-15-19(4)17-16-18(2)3/h5-17H2,1-4H3

InChIKey

LLJOASAHEBQANS-UHFFFAOYSA-N

Compound name

N'-dodecyl-N,N,N'-trimethylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 43
Patents: 270.3035 Da
Monoisotopic Mass: 5.9
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]+	271.31078	178.2
[M+Na]+	293.29272	179.4
[M-H]-	269.29622	179.2
[M+NH4]+	288.33732	195.5
[M+K]+	309.26666	179.0
[M+H-H2O]+	253.30076	170.4
[M+HCOO]-	315.30170	201.3
[M+CH3COO]-	329.31735	217.2
[M+Na-2H]-	291.27817	178.1
[M]+	270.30295	184.5
[M]-	270.30405	184.5

Literature stripe

literature stripe

Patent stripe

patents stripe