CID 135014

Adogen 383

Structural Information

Molecular Formula
C39H81N
SMILES
CC(C)CCCCCCCCCCN(CCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
InChI
InChI=1S/C39H81N/c1-37(2)31-25-19-13-7-10-16-22-28-34-40(35-29-23-17-11-8-14-20-26-32-38(3)4)36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3
InChIKey
GEYILGYKEYLWPQ-UHFFFAOYSA-N
Compound name
11-methyl-N,N-bis(11-methyldodecyl)dodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

563.6369 Da
Monoisotopic Mass

17.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.644176 271.7
[M+Na]+ 586.626118 280.5
[M-H]- 562.629624 256.1
[M+NH4]+ 581.670723 274.3
[M+K]+ 602.600058 284.0
[M+H-H2O]+ 546.634160 272.2
[M+HCOO]- 608.635101 269.3
[M+CH3COO]- 622.650751 274.4
[M+Na-2H]- 584.611566 256.0
[M]+ 563.63635142 271.5
[M]- 563.63744858 271.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe