CID 87165727

1,6-hexanediamine, n1,n6-bis(1,2,2-trimethylpropyl)-

Structural Information

Molecular Formula

C₁₈H₄₀N₂

SMILES

CC(C(C)(C)C)NCCCCCCNC(C)C(C)(C)C

InChI

InChI=1S/C18H40N2/c1-15(17(3,4)5)19-13-11-9-10-12-14-20-16(2)18(6,7)8/h15-16,19-20H,9-14H2,1-8H3

InChIKey

MORNPDNVUROSRS-UHFFFAOYSA-N

Compound name

N,N'-bis(3,3-dimethylbutan-2-yl)hexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 229
Patents: 284.31915 Da
Monoisotopic Mass: 5.1
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]+	285.326426	181.1
[M+Na]+	307.308368	182.3
[M-H]-	283.311874	180.0
[M+NH4]+	302.352973	197.0
[M+K]+	323.282308	180.9
[M+H-H2O]+	267.316410	175.3
[M+HCOO]-	329.317351	198.0
[M+CH3COO]-	343.333001	214.3
[M+Na-2H]-	305.293816	181.3
[M]+	284.31860142	182.9
[M]-	284.31969858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe