CID 156838

17-pentylsparteine

Structural Information

Molecular Formula
C20H36N2
SMILES
CCCCCC1C2CC(CN3C2CCCC3)C4N1CCCC4
InChI
InChI=1S/C20H36N2/c1-2-3-4-11-20-17-14-16(18-9-6-8-13-22(18)20)15-21-12-7-5-10-19(17)21/h16-20H,2-15H2,1H3
InChIKey
QVXBKMGMXRUNHA-UHFFFAOYSA-N
Compound name
8-pentyl-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.28784 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 179.0
[M+Na]+ 327.27706 179.1
[M-H]- 303.28056 176.9
[M+NH4]+ 322.32166 194.0
[M+K]+ 343.25100 173.3
[M+H-H2O]+ 287.28510 168.5
[M+HCOO]- 349.28604 182.7
[M+CH3COO]- 363.30169 184.5
[M+Na-2H]- 325.26251 179.3
[M]+ 304.28729 169.2
[M]- 304.28839 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.