CID 6434799

3-(p-chlorocinnamyl)-8-methyl-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C16H21ClN2
SMILES
CN1CC2CCC(C1)N2C/C=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C16H21ClN2/c1-18-11-14-8-9-15(12-18)19(14)10-4-6-13-5-2-3-7-16(13)17/h2-7,14-15H,8-12H2,1H3/b6-4+
InChIKey
YLRMVUCAUDVJCK-GQCTYLIASA-N
Compound name
8-[(E)-3-(2-chlorophenyl)prop-2-enyl]-3-methyl-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1393 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.14658 168.1
[M+Na]+ 299.12852 175.4
[M-H]- 275.13202 170.3
[M+NH4]+ 294.17312 185.9
[M+K]+ 315.10246 168.5
[M+H-H2O]+ 259.13656 159.9
[M+HCOO]- 321.13750 179.2
[M+CH3COO]- 335.15315 178.2
[M+Na-2H]- 297.11397 169.1
[M]+ 276.13875 166.8
[M]- 276.13985 166.8
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.