CID 200682

2-(morpholinomethyl)-1-phenylcyclohexanol hydrochloride

Structural Information

Molecular Formula
C17H25NO2
SMILES
C1CCC(C(C1)CN2CCOCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C17H25NO2/c19-17(15-6-2-1-3-7-15)9-5-4-8-16(17)14-18-10-12-20-13-11-18/h1-3,6-7,16,19H,4-5,8-14H2
InChIKey
JELCLXYMBQBLQR-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-1-phenylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 167.8
[M+Na]+ 298.177758 169.7
[M-H]- 274.181264 173.4
[M+NH4]+ 293.222363 181.3
[M+K]+ 314.151698 167.1
[M+H-H2O]+ 258.185800 158.3
[M+HCOO]- 320.186741 180.5
[M+CH3COO]- 334.202391 176.4
[M+Na-2H]- 296.163206 171.0
[M]+ 275.18799142 159.3
[M]- 275.18908858 159.3
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.