CID 3022384

Einecs 298-275-7

Structural Information

Molecular Formula
C28H61N3
SMILES
CCCCCCCCCCCCN(CCCCCCCCCCCC)CCNCCN
InChI
InChI=1S/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-26-31(28-25-30-24-23-29)27-22-20-18-16-14-12-10-8-6-4-2/h30H,3-29H2,1-2H3
InChIKey
NZTZKCVOQYVLDO-UHFFFAOYSA-N
Compound name
N'-[2-(didodecylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

439.48654 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.493816 226.2
[M+Na]+ 462.475758 221.7
[M-H]- 438.479264 222.9
[M+NH4]+ 457.520363 248.6
[M+K]+ 478.449698 217.0
[M+H-H2O]+ 422.483800 216.0
[M+HCOO]- 484.484741 257.0
[M+CH3COO]- 498.500391 250.3
[M+Na-2H]- 460.461206 220.8
[M]+ 439.48599142 233.6
[M]- 439.48708858 233.6
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