CID 200684

1-(p-chlorophenyl)-2-(morpholinomethyl)cyclohexanol hydrochloride

Structural Information

Molecular Formula
C17H24ClNO2
SMILES
C1CCC(C(C1)CN2CCOCC2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C17H24ClNO2/c18-16-6-4-14(5-7-16)17(20)8-2-1-3-15(17)13-19-9-11-21-12-10-19/h4-7,15,20H,1-3,8-13H2
InChIKey
KTAYTDOAGBYDDF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(morpholin-4-ylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14957 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15685 174.2
[M+Na]+ 332.13879 177.8
[M-H]- 308.14229 179.9
[M+NH4]+ 327.18339 187.5
[M+K]+ 348.11273 173.6
[M+H-H2O]+ 292.14683 165.4
[M+HCOO]- 354.14777 182.3
[M+CH3COO]- 368.16342 182.8
[M+Na-2H]- 330.12424 176.2
[M]+ 309.14902 168.4
[M]- 309.15012 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.