CID 3022545

93839-43-1

Structural Information

Molecular Formula
C28H61N3
SMILES
CCCCCCCCN(CCCCCCCC)CCN(CCCCCCCC)CCN
InChI
InChI=1S/C28H61N3/c1-4-7-10-13-16-19-23-30(24-20-17-14-11-8-5-2)27-28-31(26-22-29)25-21-18-15-12-9-6-3/h4-29H2,1-3H3
InChIKey
QWHFTNGGASLTIP-UHFFFAOYSA-N
Compound name
N'-[2-(dioctylamino)ethyl]-N'-octylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.48654 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.493816 229.1
[M+Na]+ 462.475758 224.9
[M-H]- 438.479264 227.3
[M+NH4]+ 457.520363 251.4
[M+K]+ 478.449698 221.4
[M+H-H2O]+ 422.483800 218.7
[M+HCOO]- 484.484741 255.4
[M+CH3COO]- 498.500391 253.6
[M+Na-2H]- 460.461206 222.7
[M]+ 439.48599142 237.7
[M]- 439.48708858 237.7
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.