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

8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.