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 171.8
[M+Na]+ 286.22537 176.7
[M-H]- 262.22887 172.0
[M+NH4]+ 281.26997 190.7
[M+K]+ 302.19931 172.7
[M+H-H2O]+ 246.23341 170.4
[M+HCOO]- 308.23435 180.5
[M+CH3COO]- 322.25000 179.0
[M+Na-2H]- 284.21082 179.3
[M]+ 263.23560 170.4
[M]- 263.23670 170.4
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.