CID 1512484

190779-64-7

Structural Information

Molecular Formula

C₁₅H₂₇N₃

SMILES

CCC1=C(C(=C(C(=C1CN)CC)CN)CC)CN

InChI

InChI=1S/C15H27N3/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17/h4-9,16-18H2,1-3H3

InChIKey

DBOPPHIBSRVLLK-UHFFFAOYSA-N

Compound name

[3,5-bis(aminomethyl)-2,4,6-triethylphenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 249.2205 Da
Monoisotopic Mass: 0.9
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]+	250.22778	163.4
[M+Na]+	272.20972	173.2
[M+NH4]+	267.25432	170.5
[M+K]+	288.18366	166.5
[M-H]-	248.21322	167.0
[M+Na-2H]-	270.19517	166.9
[M]+	249.21995	165.5
[M]-	249.22105	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe