CID 6434794

3,8-diazabicyclo(3.2.1)octane, 3-cinnamyl-8-methyl-

Structural Information

Molecular Formula
C16H22N2
SMILES
CN1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3
InChI
InChI=1S/C16H22N2/c1-17-15-9-10-16(17)13-18(12-15)11-5-8-14-6-3-2-4-7-14/h2-8,15-16H,9-13H2,1H3/b8-5+
InChIKey
HTWRBOWJUNHVMN-VMPITWQZSA-N
Compound name
8-methyl-3-[(E)-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1783 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 160.0
[M+Na]+ 265.167518 165.5
[M-H]- 241.171024 162.1
[M+NH4]+ 260.212123 178.1
[M+K]+ 281.141458 160.4
[M+H-H2O]+ 225.175560 151.3
[M+HCOO]- 287.176501 175.8
[M+CH3COO]- 301.192151 170.2
[M+Na-2H]- 263.152966 162.4
[M]+ 242.17775142 156.4
[M]- 242.17884858 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.