CID 469911

N,n'-bis(2-octyl)ethylenediamine

Structural Information

Molecular Formula
C18H40N2
SMILES
CCCCCCC(C)NCCNC(C)CCCCCC
InChI
InChI=1S/C18H40N2/c1-5-7-9-11-13-17(3)19-15-16-20-18(4)14-12-10-8-6-2/h17-20H,5-16H2,1-4H3
InChIKey
GXSYESHGCYHSMD-UHFFFAOYSA-N
Compound name
N,N'-di(octan-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

284.31915 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.32643 182.8
[M+Na]+ 307.30837 182.8
[M-H]- 283.31187 180.8
[M+NH4]+ 302.35297 198.1
[M+K]+ 323.28231 180.3
[M+H-H2O]+ 267.31641 175.3
[M+HCOO]- 329.31735 202.6
[M+CH3COO]- 343.33300 214.8
[M+Na-2H]- 305.29382 181.2
[M]+ 284.31860 185.7
[M]- 284.31970 185.7
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