CID 66892

Einecs 203-056-6

Structural Information

Molecular Formula

C₂₂H₄₈N₂

SMILES

CCCCCN(CCCCC)CCN(CCCCC)CCCCC

InChI

InChI=1S/C22H48N2/c1-5-9-13-17-23(18-14-10-6-2)21-22-24(19-15-11-7-3)20-16-12-8-4/h5-22H2,1-4H3

InChIKey

MPAOWNJUCRLLEQ-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetrapentylethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 18
Patents: 340.38174 Da
Monoisotopic Mass: 7.5
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]+	341.389016	200.6
[M+Na]+	363.370958	199.8
[M-H]-	339.374464	200.7
[M+NH4]+	358.415563	215.1
[M+K]+	379.344898	198.0
[M+H-H2O]+	323.379000	191.8
[M+HCOO]-	385.379941	222.0
[M+CH3COO]-	399.395591	232.0
[M+Na-2H]-	361.356406	197.9
[M]+	340.38119142	208.9
[M]-	340.38228858	208.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe