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
1
Annotation Hits

0
References

13
Patents

439.48654 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.49382 223.1
[M+Na]+ 462.47576 218.4
[M-H]- 438.47926 218.8
[M+NH4]+ 457.52036 251.3
[M+K]+ 478.44970 212.6
[M+H-H2O]+ 422.48380 213.0
[M+HCOO]- 484.48474 263.8
[M+CH3COO]- 498.50039 247.7
[M+Na-2H]- 460.46121 219.7
[M]+ 439.48599 230.2
[M]- 439.48709 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