CID 83790

1,14-tetradecanediamine

Structural Information

Molecular Formula

C₁₄H₃₂N₂

SMILES

C(CCCCCCCN)CCCCCCN

InChI

InChI=1S/C14H32N2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-16H2

InChIKey

MSVPBWBOFXVAJF-UHFFFAOYSA-N

Compound name

tetradecane-1,14-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3729
Patents: 228.25655 Da
Monoisotopic Mass: 4.1
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]+	229.263826	162.5
[M+Na]+	251.245768	164.7
[M-H]-	227.249274	160.1
[M+NH4]+	246.290373	179.7
[M+K]+	267.219708	161.6
[M+H-H2O]+	211.253810	155.7
[M+HCOO]-	273.254751	184.4
[M+CH3COO]-	287.270401	199.9
[M+Na-2H]-	249.231216	163.7
[M]+	228.25600142	163.2
[M]-	228.25709858	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe