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]+ 217.16992 149.8
[M+Na]+ 239.15186 154.7
[M-H]- 215.15536 151.3
[M+NH4]+ 234.19646 168.7
[M+K]+ 255.12580 150.3
[M+H-H2O]+ 199.15990 142.1
[M+HCOO]- 261.16084 165.7
[M+CH3COO]- 275.17649 160.3
[M+Na-2H]- 237.13731 156.0
[M]+ 216.16209 144.6
[M]- 216.16319 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.