CID 424002

9-(butylamino)julolidine dihydrochloride

Structural Information

Molecular Formula
C16H24N2
SMILES
CCCCNC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C16H24N2/c1-2-3-8-17-15-11-13-6-4-9-18-10-5-7-14(12-15)16(13)18/h11-12,17H,2-10H2,1H3
InChIKey
GQDQYBNUELHQNQ-UHFFFAOYSA-N
Compound name
N-butyl-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20123 158.3
[M+Na]+ 267.18317 162.2
[M-H]- 243.18667 159.8
[M+NH4]+ 262.22777 176.2
[M+K]+ 283.15711 157.7
[M+H-H2O]+ 227.19121 150.0
[M+HCOO]- 289.19215 174.0
[M+CH3COO]- 303.20780 168.1
[M+Na-2H]- 265.16862 164.4
[M]+ 244.19340 154.6
[M]- 244.19450 154.6
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.