CID 206266

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

Structural Information

Molecular Formula
C18H25NO
SMILES
COC1=CC=CC(=C1)C2=CCC(CC2)N3CCCCC3
InChI
InChI=1S/C18H25NO/c1-20-18-7-5-6-16(14-18)15-8-10-17(11-9-15)19-12-3-2-4-13-19/h5-8,14,17H,2-4,9-13H2,1H3
InChIKey
PLEDKPHCGRBELD-UHFFFAOYSA-N
Compound name
1-[4-(3-methoxyphenyl)cyclohex-3-en-1-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 166.6
[M+Na]+ 294.18282 169.4
[M-H]- 270.18632 173.1
[M+NH4]+ 289.22742 180.6
[M+K]+ 310.15676 165.2
[M+H-H2O]+ 254.19086 156.7
[M+HCOO]- 316.19180 182.6
[M+CH3COO]- 330.20745 176.0
[M+Na-2H]- 292.16827 168.3
[M]+ 271.19305 159.8
[M]- 271.19415 159.8
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.