CID 22212022

Dtxsid10623421

Structural Information

Molecular Formula
C18H40N2
SMILES
CC(C)N(CCCCCCN(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C18H40N2/c1-15(2)19(16(3)4)13-11-9-10-12-14-20(17(5)6)18(7)8/h15-18H,9-14H2,1-8H3
InChIKey
KHDDHEBEVNRFAT-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetra(propan-2-yl)hexane-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

284.31915 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.326426 184.3
[M+Na]+ 307.308368 184.4
[M-H]- 283.311874 185.6
[M+NH4]+ 302.352973 200.8
[M+K]+ 323.282308 185.7
[M+H-H2O]+ 267.316410 176.9
[M+HCOO]- 329.317351 203.1
[M+CH3COO]- 343.333001 223.5
[M+Na-2H]- 305.293816 178.7
[M]+ 284.31860142 188.4
[M]- 284.31969858 188.4
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