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
2
Annotation Hits

1
References

386
Patents

271.29874 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.30602 173.1
[M+Na]+ 294.28796 173.5
[M-H]- 270.29146 170.7
[M+NH4]+ 289.33256 188.4
[M+K]+ 310.26190 170.3
[M+H-H2O]+ 254.29600 165.3
[M+HCOO]- 316.29694 196.0
[M+CH3COO]- 330.31259 211.6
[M+Na-2H]- 292.27341 174.7
[M]+ 271.29819 174.7
[M]- 271.29929 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.