CID 424001

9-(beta-aminoethyl)julolidine dihydrochloride

Structural Information

Molecular Formula
C14H20N2
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)CCN
InChI
InChI=1S/C14H20N2/c15-6-5-11-9-12-3-1-7-16-8-2-4-13(10-11)14(12)16/h9-10H,1-8,15H2
InChIKey
NIFACYIMVREXSO-UHFFFAOYSA-N
Compound name
2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.16264 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.169916 149.8
[M+Na]+ 239.151858 154.7
[M-H]- 215.155364 151.3
[M+NH4]+ 234.196463 168.7
[M+K]+ 255.125798 150.3
[M+H-H2O]+ 199.159900 142.1
[M+HCOO]- 261.160841 165.7
[M+CH3COO]- 275.176491 160.3
[M+Na-2H]- 237.137306 156.0
[M]+ 216.16209142 144.6
[M]- 216.16318858 144.6
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.