CID 138394050

(1s,8r,10s,16s)-3,11-diazatetracyclo[8.6.1.03,8.011,16]heptadecane

Structural Information

Molecular Formula
C15H26N2
SMILES
C1CCN2C[C@@H]3C[C@@H](C[C@H]2C1)N4[C@H]3CCCC4
InChI
InChI=1S/C15H26N2/c1-3-7-16-11-12-9-14(10-13(16)5-1)17-8-4-2-6-15(12)17/h12-15H,1-11H2/t12-,13+,14-,15-/m0/s1
InChIKey
FAVXIFMWJHLGSS-XGUBFFRZSA-N
Compound name
(1S,8R,10S,16S)-3,11-diazatetracyclo[8.6.1.03,8.011,16]heptadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.2096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.216876 154.9
[M+Na]+ 257.198818 157.4
[M-H]- 233.202324 156.0
[M+NH4]+ 252.243423 173.7
[M+K]+ 273.172758 154.4
[M+H-H2O]+ 217.206860 147.3
[M+HCOO]- 279.207801 163.2
[M+CH3COO]- 293.223451 163.2
[M+Na-2H]- 255.184266 156.6
[M]+ 234.20905142 143.4
[M]- 234.21014858 143.4
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.