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

14396
Patents

521.58997 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.597246 265.4
[M+Na]+ 544.579188 273.0
[M-H]- 520.582694 246.0
[M+NH4]+ 539.623793 263.1
[M+K]+ 560.553128 273.7
[M+H-H2O]+ 504.587230 244.9
[M+HCOO]- 566.588171 270.8
[M+CH3COO]- 580.603821 264.2
[M+Na-2H]- 542.564636 248.7
[M]+ 521.58942142 265.2
[M]- 521.59051858 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

literature stripe

Patent stripe

patents stripe