CID 377667

9-(n,n-diethylamino)julolidine dihydrochloride

Structural Information

Molecular Formula
C16H24N2
SMILES
CCN(CC)C1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C16H24N2/c1-3-17(4-2)15-11-13-7-5-9-18-10-6-8-14(12-15)16(13)18/h11-12H,3-10H2,1-2H3
InChIKey
CILKQWQRBJAVNK-UHFFFAOYSA-N
Compound name
N,N-diethyl-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

244.19395 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 158.9
[M+Na]+ 267.18317 162.8
[M-H]- 243.18667 161.8
[M+NH4]+ 262.22777 177.4
[M+K]+ 283.15711 159.7
[M+H-H2O]+ 227.19121 150.4
[M+HCOO]- 289.19215 175.1
[M+CH3COO]- 303.20780 169.2
[M+Na-2H]- 265.16862 164.1
[M]+ 244.19340 156.4
[M]- 244.19450 156.4
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.