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

14600
Patents

521.58997 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.597246 265.9
[M+Na]+ 544.579188 272.0
[M-H]- 520.582694 244.6
[M+NH4]+ 539.623793 259.7
[M+K]+ 560.553128 272.2
[M+H-H2O]+ 504.587230 242.3
[M+HCOO]- 566.588171 271.9
[M+CH3COO]- 580.603821 260.9
[M+Na-2H]- 542.564636 244.5
[M]+ 521.58942142 264.3
[M]- 521.59051858 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

literature stripe

Patent stripe

patents stripe