CID 6434794

63977-91-3

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]+ 243.18558 160.0
[M+Na]+ 265.16752 165.5
[M-H]- 241.17102 162.1
[M+NH4]+ 260.21212 178.1
[M+K]+ 281.14146 160.4
[M+H-H2O]+ 225.17556 151.3
[M+HCOO]- 287.17650 175.8
[M+CH3COO]- 301.19215 170.2
[M+Na-2H]- 263.15297 162.4
[M]+ 242.17775 156.4
[M]- 242.17885 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.