CID 77291

1,2-ethanediamine, n-(2-aminoethyl)-n'-dodecyl-

Structural Information

Molecular Formula
C16H37N3
SMILES
CCCCCCCCCCCCNCCNCCN
InChI
InChI=1S/C16H37N3/c1-2-3-4-5-6-7-8-9-10-11-13-18-15-16-19-14-12-17/h18-19H,2-17H2,1H3
InChIKey
RRHLGOOTLYHTEW-UHFFFAOYSA-N
Compound name
N'-[2-(dodecylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

390
Patents

271.29874 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.306016 173.1
[M+Na]+ 294.287958 173.5
[M-H]- 270.291464 170.7
[M+NH4]+ 289.332563 188.4
[M+K]+ 310.261898 170.3
[M+H-H2O]+ 254.296000 165.3
[M+HCOO]- 316.296941 196.0
[M+CH3COO]- 330.312591 211.6
[M+Na-2H]- 292.273406 174.7
[M]+ 271.29819142 174.7
[M]- 271.29928858 174.7
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