CID 113780

Of-666

Structural Information

Molecular Formula
C17H35N3
SMILES
CCN(CC)CCCC(C)NCC1CC2CCN1CC2
InChI
InChI=1S/C17H35N3/c1-4-19(5-2)10-6-7-15(3)18-14-17-13-16-8-11-20(17)12-9-16/h15-18H,4-14H2,1-3H3
InChIKey
ZKMJBKJDBGSCOA-UHFFFAOYSA-N
Compound name
4-N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.2831 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.29038 174.3
[M+Na]+ 304.27232 172.9
[M-H]- 280.27582 168.8
[M+NH4]+ 299.31692 193.1
[M+K]+ 320.24626 171.1
[M+H-H2O]+ 264.28036 167.2
[M+HCOO]- 326.28130 183.6
[M+CH3COO]- 340.29695 217.6
[M+Na-2H]- 302.25777 180.1
[M]+ 281.28255 175.5
[M]- 281.28365 175.5
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.