CID 120102

1-hexadecanamine, n,n-dihexadecyl-

Structural Information

Molecular Formula
C48H99N
SMILES
CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
InChI
InChI=1S/C48H99N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49(47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-48H2,1-3H3
InChIKey
LYYLWJOKAQADDU-UHFFFAOYSA-N
Compound name
N,N-dihexadecylhexadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3928
Patents

689.7778 Da
Monoisotopic Mass

23.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.78508 305.3
[M+Na]+ 712.76702 310.8
[M-H]- 688.77052 281.4
[M+NH4]+ 707.81162 302.7
[M+K]+ 728.74096 316.5
[M+H-H2O]+ 672.77506 302.9
[M+HCOO]- 734.77600 306.4
[M+CH3COO]- 748.79165 297.0
[M+Na-2H]- 710.75247 283.6
[M]+ 689.77725 304.2
[M]- 689.77835 304.2
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