CID 109536

Einecs 268-681-9

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 178.7
[M+Na]+ 338.28902 177.5
[M-H]- 314.29252 176.4
[M+NH4]+ 333.33362 191.2
[M+K]+ 354.26296 175.1
[M+H-H2O]+ 298.29706 169.6
[M+HCOO]- 360.29800 203.0
[M+CH3COO]- 374.31365 223.4
[M+Na-2H]- 336.27447 179.9
[M]+ 315.29925 178.6
[M]- 315.30035 178.6
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.