CID 379523

9-(n-ethylamino)julolidine dihydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
CCNC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C14H20N2/c1-2-15-13-9-11-5-3-7-16-8-4-6-12(10-13)14(11)16/h9-10,15H,2-8H2,1H3
InChIKey
LMJLPFBYTCQPAL-UHFFFAOYSA-N
Compound name
N-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 149.1
[M+Na]+ 239.151858 154.0
[M-H]- 215.155364 151.1
[M+NH4]+ 234.196463 168.3
[M+K]+ 255.125798 149.9
[M+H-H2O]+ 199.159900 141.3
[M+HCOO]- 261.160841 165.6
[M+CH3COO]- 275.176491 159.9
[M+Na-2H]- 237.137306 156.3
[M]+ 216.16209142 144.9
[M]- 216.16318858 144.9
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.