CID 3016308

41955-35-5

Structural Information

Molecular Formula
C28H61N3
SMILES
CCCCCCCCCCCCNCCNCCNCCCCCCCCCCCC
InChI
InChI=1S/C28H61N3/c1-3-5-7-9-11-13-15-17-19-21-23-29-25-27-31-28-26-30-24-22-20-18-16-14-12-10-8-6-4-2/h29-31H,3-28H2,1-2H3
InChIKey
WBAZLMILKDTIQE-UHFFFAOYSA-N
Compound name
N-dodecyl-N'-[2-(dodecylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
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 223.1
[M+Na]+ 462.475758 218.4
[M-H]- 438.479264 218.8
[M+NH4]+ 457.520363 251.3
[M+K]+ 478.449698 212.6
[M+H-H2O]+ 422.483800 213.0
[M+HCOO]- 484.484741 263.8
[M+CH3COO]- 498.500391 247.7
[M+Na-2H]- 460.461206 219.7
[M]+ 439.48599142 230.2
[M]- 439.48708858 230.2
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

patents stripe