CID 644020

Sparteine

Structural Information

Molecular Formula
C15H26N2
SMILES
C1CCN2C[C@@H]3C[C@H]([C@H]2C1)CN4[C@H]3CCCC4
InChI
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
InChIKey
SLRCCWJSBJZJBV-ZQDZILKHSA-N
Compound name
(1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

945
References

7257
Patents

234.2096 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.216876 155.7
[M+Na]+ 257.198818 157.1
[M-H]- 233.202324 154.4
[M+NH4]+ 252.243423 173.4
[M+K]+ 273.172758 152.6
[M+H-H2O]+ 217.206860 146.0
[M+HCOO]- 279.207801 161.3
[M+CH3COO]- 293.223451 163.2
[M+Na-2H]- 255.184266 159.5
[M]+ 234.20905142 144.1
[M]- 234.21014858 144.1
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

patents stripe