CID 546936

Chembl209439

Structural Information

Molecular Formula

C₁₄H₃₂N₂

SMILES

CN(C)CCCCCCCCCCN(C)C

InChI

InChI=1S/C14H32N2/c1-15(2)13-11-9-7-5-6-8-10-12-14-16(3)4/h5-14H2,1-4H3

InChIKey

IHRMYWSNDPZDBA-UHFFFAOYSA-N

Compound name

N,N,N',N'-tetramethyldecane-1,10-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 115
Patents: 228.25655 Da
Monoisotopic Mass: 3.9
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	164.5
[M+Na]+	251.24577	167.0
[M-H]-	227.24927	166.1
[M+NH4]+	246.29037	183.5
[M+K]+	267.21971	167.3
[M+H-H2O]+	211.25381	157.2
[M+HCOO]-	273.25475	188.6
[M+CH3COO]-	287.27040	208.2
[M+Na-2H]-	249.23122	166.0
[M]+	228.25600	169.7
[M]-	228.25710	169.7

Literature stripe

literature stripe

Patent stripe

patents stripe