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]+ 217.16992 149.1
[M+Na]+ 239.15186 154.0
[M-H]- 215.15536 151.1
[M+NH4]+ 234.19646 168.3
[M+K]+ 255.12580 149.9
[M+H-H2O]+ 199.15990 141.3
[M+HCOO]- 261.16084 165.6
[M+CH3COO]- 275.17649 159.9
[M+Na-2H]- 237.13731 156.3
[M]+ 216.16209 144.9
[M]- 216.16319 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.