CID 109536

68133-38-0

Structural Information

Molecular Formula
C16H37N5O
SMILES
CCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C16H37N5O/c1-2-3-4-5-6-7-16(22)21-15-14-20-13-12-19-11-10-18-9-8-17/h18-20H,2-15,17H2,1H3,(H,21,22)
InChIKey
JAWMAOQAPSZIIX-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]octanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

315.2998 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.30708 182.0
[M+Na]+ 338.28902 183.8
[M+NH4]+ 333.33362 185.7
[M+K]+ 354.26296 178.2
[M-H]- 314.29252 181.9
[M+Na-2H]- 336.27447 181.4
[M]+ 315.29925 181.3
[M]- 315.30035 181.3
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.