CID 66989

Dioctadecylamine

Structural Information

Molecular Formula
C36H75N
SMILES
CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
InChIKey
HKUFIYBZNQSHQS-UHFFFAOYSA-N
Compound name
N-octadecyloctadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

14530
Patents

521.58997 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.59725 265.9
[M+Na]+ 544.57919 272.0
[M-H]- 520.58269 244.6
[M+NH4]+ 539.62379 259.7
[M+K]+ 560.55313 272.2
[M+H-H2O]+ 504.58723 242.3
[M+HCOO]- 566.58817 271.9
[M+CH3COO]- 580.60382 260.9
[M+Na-2H]- 542.56464 244.5
[M]+ 521.58942 264.3
[M]- 521.59052 264.3
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.