CID 469907

3964-15-6

Structural Information

Molecular Formula

C₁₄H₃₂N₂

SMILES

CC(C)CC(C)NCCNC(C)CC(C)C

InChI

InChI=1S/C14H32N2/c1-11(2)9-13(5)15-7-8-16-14(6)10-12(3)4/h11-16H,7-10H2,1-6H3

InChIKey

LCKHBYOSKOUPOT-UHFFFAOYSA-N

Compound name

N,N'-bis(4-methylpentan-2-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 228.25655 Da
Monoisotopic Mass: 3.6
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]+	229.263826	166.4
[M+Na]+	251.245768	167.6
[M-H]-	227.249274	165.4
[M+NH4]+	246.290373	183.8
[M+K]+	267.219708	167.2
[M+H-H2O]+	211.253810	159.9
[M+HCOO]-	273.254751	185.5
[M+CH3COO]-	287.270401	204.5
[M+Na-2H]-	249.231216	164.3
[M]+	228.25600142	166.4
[M]-	228.25709858	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe