CID 7624

Tri-n-dodecylamine

Structural Information

Molecular Formula
C36H75N
SMILES
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI
InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKey
SWZDQOUHBYYPJD-UHFFFAOYSA-N
Compound name
N,N-didodecyldodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

11
References

14338
Patents

521.58997 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.59725 265.4
[M+Na]+ 544.57919 273.0
[M-H]- 520.58269 246.0
[M+NH4]+ 539.62379 263.1
[M+K]+ 560.55313 273.7
[M+H-H2O]+ 504.58723 244.9
[M+HCOO]- 566.58817 270.8
[M+CH3COO]- 580.60382 264.2
[M+Na-2H]- 542.56464 248.7
[M]+ 521.58942 265.2
[M]- 521.59052 265.2
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

No patent data available for this compound.