CID 519223

Diundecylamine

Structural Information

Molecular Formula

C₂₂H₄₇N

SMILES

CCCCCCCCCCCNCCCCCCCCCCC

InChI

InChI=1S/C22H47N/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h23H,3-22H2,1-2H3

InChIKey

NKGSHSILLGXYDW-UHFFFAOYSA-N

Compound name

N-undecylundecan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1668
Patents: 325.37085 Da
Monoisotopic Mass: 9.9
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]+	326.37813	194.5
[M+Na]+	348.36007	194.2
[M-H]-	324.36357	191.6
[M+NH4]+	343.40467	208.7
[M+K]+	364.33401	189.7
[M+H-H2O]+	308.36811	186.6
[M+HCOO]-	370.36905	214.0
[M+CH3COO]-	384.38470	220.3
[M+Na-2H]-	346.34552	193.3
[M]+	325.37030	201.1
[M]-	325.37140	201.1

Literature stripe

literature stripe

Patent stripe

patents stripe