CID 206262

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

Structural Information

Molecular Formula
C18H25N
SMILES
CC1=CC=CC=C1C2=CCC(CC2)N3CCCCC3
InChI
InChI=1S/C18H25N/c1-15-7-3-4-8-18(15)16-9-11-17(12-10-16)19-13-5-2-6-14-19/h3-4,7-9,17H,2,5-6,10-14H2,1H3
InChIKey
UZTHHWMXTAQISQ-UHFFFAOYSA-N
Compound name
1-[4-(2-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]+ 256.205976 163.2
[M+Na]+ 278.187918 166.1
[M-H]- 254.191424 169.7
[M+NH4]+ 273.232523 177.9
[M+K]+ 294.161858 161.3
[M+H-H2O]+ 238.195960 153.5
[M+HCOO]- 300.196901 179.0
[M+CH3COO]- 314.212551 172.8
[M+Na-2H]- 276.173366 164.9
[M]+ 255.19815142 154.9
[M]- 255.19924858 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.