CID 3053134

Of 71

Structural Information

Molecular Formula
C14H29N3
SMILES
CCN(CC)CCNCC1CC2CCN1CC2
InChI
InChI=1S/C14H29N3/c1-3-16(4-2)10-7-15-12-14-11-13-5-8-17(14)9-6-13/h13-15H,3-12H2,1-2H3
InChIKey
VFOKXMSTGSPNOF-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.23615 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.24343 159.1
[M+Na]+ 262.22537 159.4
[M-H]- 238.22887 154.3
[M+NH4]+ 257.26997 179.8
[M+K]+ 278.19931 157.9
[M+H-H2O]+ 222.23341 152.4
[M+HCOO]- 284.23435 170.6
[M+CH3COO]- 298.25000 208.0
[M+Na-2H]- 260.21082 167.9
[M]+ 239.23560 160.1
[M]- 239.23670 160.1
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.