CID 20972

4835-11-4

Structural Information

Molecular Formula

C₁₄H₃₂N₂

SMILES

CCCCNCCCCCCNCCCC

InChI

InChI=1S/C14H32N2/c1-3-5-11-15-13-9-7-8-10-14-16-12-6-4-2/h15-16H,3-14H2,1-2H3

InChIKey

VZRUGPJUVWRHKM-UHFFFAOYSA-N

Compound name

N,N'-dibutylhexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 383
Patents: 228.25655 Da
Monoisotopic Mass: 3.3
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]+	229.26383	162.4
[M+Na]+	251.24577	164.4
[M-H]-	227.24927	160.9
[M+NH4]+	246.29037	180.0
[M+K]+	267.21971	162.1
[M+H-H2O]+	211.25381	155.5
[M+HCOO]-	273.25475	185.5
[M+CH3COO]-	287.27040	201.2
[M+Na-2H]-	249.23122	165.6
[M]+	228.25600	165.0
[M]-	228.25710	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe