CID 6434798

Brn 0527179

Structural Information

Molecular Formula
C16H21ClN2
SMILES
CN1C2CCC1CN(C2)C/C=C/C3=CC=CC=C3Cl
InChI
InChI=1S/C16H21ClN2/c1-18-14-8-9-15(18)12-19(11-14)10-4-6-13-5-2-3-7-16(13)17/h2-7,14-15H,8-12H2,1H3/b6-4+
InChIKey
VLIZSQKTSLFMRP-GQCTYLIASA-N
Compound name
3-[(E)-3-(2-chlorophenyl)prop-2-enyl]-8-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 165.4
[M+Na]+ 299.12852 178.8
[M+NH4]+ 294.17312 174.9
[M+K]+ 315.10246 171.0
[M-H]- 275.13202 168.3
[M+Na-2H]- 297.11397 169.8
[M]+ 276.13875 168.4
[M]- 276.13985 168.4
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.