CID 6478446

Schembl1780673

Structural Information

Molecular Formula

C₂₀H₃₆N₂

SMILES

C1CCCC(CCC1)NCCNC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H36N2/c1-2-4-6-19(7-5-3-1)21-8-9-22-20-17-11-15-10-16(13-17)14-18(20)12-15/h15-22H,1-14H2

InChIKey

NKBLOZMZMVRROE-UHFFFAOYSA-N

Compound name

N'-(2-adamantyl)-N-cyclooctylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 304.28784 Da
Monoisotopic Mass: 4.6
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]+	305.29512	182.5
[M+Na]+	327.27706	182.0
[M-H]-	303.28056	180.7
[M+NH4]+	322.32166	190.6
[M+K]+	343.25100	180.5
[M+H-H2O]+	287.28510	177.2
[M+HCOO]-	349.28604	183.5
[M+CH3COO]-	363.30169	182.8
[M+Na-2H]-	325.26251	181.0
[M]+	304.28729	178.6
[M]-	304.28839	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe