CID 80012

Tris(tridecyl)amine

Structural Information

Molecular Formula
C39H81N
SMILES
CCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCCCCCCCCC
InChI
InChI=1S/C39H81N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3
InChIKey
GDSGXRQXKTWBOS-UHFFFAOYSA-N
Compound name
N,N-di(tridecyl)tridecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

985
Patents

563.6369 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.644176 275.7
[M+Na]+ 586.626118 282.8
[M-H]- 562.629624 255.2
[M+NH4]+ 581.670723 273.3
[M+K]+ 602.600058 284.7
[M+H-H2O]+ 546.634160 274.2
[M+HCOO]- 608.635101 280.0
[M+CH3COO]- 622.650751 272.6
[M+Na-2H]- 584.611566 257.7
[M]+ 563.63635142 275.1
[M]- 563.63744858 275.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe