CID 135618179

4-azatricyclo(4.3.1.1(sup 3,8))undec-4-ene, 5-(2-(diethylamino)ethylamino)-, dihydrochloride

Structural Information

Molecular Formula
C16H29N3
SMILES
CCN(CC)CCN=C1C2CC3CC(C2)CC(C3)N1
InChI
InChI=1S/C16H29N3/c1-3-19(4-2)6-5-17-16-14-8-12-7-13(9-14)11-15(10-12)18-16/h12-15H,3-11H2,1-2H3,(H,17,18)
InChIKey
KENIGZKMUGMZIR-UHFFFAOYSA-N
Compound name
2-(4-azatricyclo[4.3.1.13,8]undecan-5-ylideneamino)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.23615 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.24343 148.8
[M+Na]+ 286.22537 151.6
[M+NH4]+ 281.26997 155.7
[M+K]+ 302.19931 149.2
[M-H]- 262.22887 146.9
[M+Na-2H]- 284.21082 145.9
[M]+ 263.23560 148.4
[M]- 263.23670 148.4
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

No patent data available for this compound.