CID 200896

1-(m-methoxyphenyl)-2-(1-pyrrolidinylmethyl)cyclohexanol

Structural Information

Molecular Formula
C18H27NO2
SMILES
COC1=CC=CC(=C1)C2(CCCCC2CN3CCCC3)O
InChI
InChI=1S/C18H27NO2/c1-21-17-9-6-8-15(13-17)18(20)10-3-2-7-16(18)14-19-11-4-5-12-19/h6,8-9,13,16,20H,2-5,7,10-12,14H2,1H3
InChIKey
BKUNOPOWBIEPEZ-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.2042 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 172.9
[M+Na]+ 312.19342 183.5
[M+NH4]+ 307.23802 182.6
[M+K]+ 328.16736 175.9
[M-H]- 288.19692 177.5
[M+Na-2H]- 310.17887 180.3
[M]+ 289.20365 175.7
[M]- 289.20475 175.7
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.