CID 206263

1-(4-(m-tolyl)cyclohex-3-enyl)piperidine

Structural Information

Molecular Formula
C18H25N
SMILES
CC1=CC(=CC=C1)C2=CCC(CC2)N3CCCCC3
InChI
InChI=1S/C18H25N/c1-15-6-5-7-17(14-15)16-8-10-18(11-9-16)19-12-3-2-4-13-19/h5-8,14,18H,2-4,9-13H2,1H3
InChIKey
IFBYJQVSRGKJFK-UHFFFAOYSA-N
Compound name
1-[4-(3-methylphenyl)cyclohex-3-en-1-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 163.2
[M+Na]+ 278.18792 166.1
[M-H]- 254.19142 169.7
[M+NH4]+ 273.23252 177.9
[M+K]+ 294.16186 161.3
[M+H-H2O]+ 238.19596 153.5
[M+HCOO]- 300.19690 179.0
[M+CH3COO]- 314.21255 172.8
[M+Na-2H]- 276.17337 164.9
[M]+ 255.19815 154.9
[M]- 255.19925 154.9
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.