CID 10199351

Bis(8-aminooctyl)amine

Structural Information

Molecular Formula

C₁₆H₃₇N₃

SMILES

C(CCCCNCCCCCCCCN)CCCN

InChI

InChI=1S/C16H37N3/c17-13-9-5-1-3-7-11-15-19-16-12-8-4-2-6-10-14-18/h19H,1-18H2

InChIKey

ZWZITQBHEXYRNP-UHFFFAOYSA-N

Compound name

N'-(8-aminooctyl)octane-1,8-diamine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 368
Patents: 271.29874 Da
Monoisotopic Mass: 2.9
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]+	272.30602	173.0
[M+Na]+	294.28796	173.4
[M-H]-	270.29146	170.1
[M+NH4]+	289.33256	187.9
[M+K]+	310.26190	169.8
[M+H-H2O]+	254.29600	165.1
[M+HCOO]-	316.29694	195.2
[M+CH3COO]-	330.31259	211.0
[M+Na-2H]-	292.27341	173.5
[M]+	271.29819	173.5
[M]-	271.29929	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe