CID 424000

9-(octylamino)julolidine dihydrochloride

Structural Information

Molecular Formula
C20H32N2
SMILES
CCCCCCCCNC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C20H32N2/c1-2-3-4-5-6-7-12-21-19-15-17-10-8-13-22-14-9-11-18(16-19)20(17)22/h15-16,21H,2-14H2,1H3
InChIKey
WVSBJBPTXCOGKJ-UHFFFAOYSA-N
Compound name
N-octyl-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

300.25656 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.26384 176.4
[M+Na]+ 323.24578 178.4
[M-H]- 299.24928 177.0
[M+NH4]+ 318.29038 191.9
[M+K]+ 339.21972 172.9
[M+H-H2O]+ 283.25382 167.2
[M+HCOO]- 345.25476 190.7
[M+CH3COO]- 359.27041 211.7
[M+Na-2H]- 321.23123 180.2
[M]+ 300.25601 174.0
[M]- 300.25711 174.0
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.