CID 8926

Hexadecylamine

Structural Information

Molecular Formula
C16H35N
SMILES
CCCCCCCCCCCCCCCCN
InChI
InChI=1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3
InChIKey
FJLUATLTXUNBOT-UHFFFAOYSA-N
Compound name
hexadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

182
References

66175
Patents

241.27695 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.28423 168.5
[M+Na]+ 264.26617 170.6
[M-H]- 240.26967 166.2
[M+NH4]+ 259.31077 185.7
[M+K]+ 280.24011 167.4
[M+H-H2O]+ 224.27421 161.8
[M+HCOO]- 286.27515 189.3
[M+CH3COO]- 300.29080 201.7
[M+Na-2H]- 262.25162 169.3
[M]+ 241.27640 171.7
[M]- 241.27750 171.7
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