CID 85571

Dihexadecylamine

Structural Information

Molecular Formula
C32H67N
SMILES
CCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H67N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3
InChIKey
NQYKSVOHDVVDOR-UHFFFAOYSA-N
Compound name
N-hexadecylhexadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7054
Patents

465.52734 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.53462 236.7
[M+Na]+ 488.51656 232.1
[M-H]- 464.52006 231.7
[M+NH4]+ 483.56116 245.9
[M+K]+ 504.49050 225.0
[M+H-H2O]+ 448.52460 226.9
[M+HCOO]- 510.52554 259.4
[M+CH3COO]- 524.54119 249.5
[M+Na-2H]- 486.50201 230.3
[M]+ 465.52679 247.0
[M]- 465.52789 247.0
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