CID 567602

4-[(1-phenylcyclohexyl)methyl]morpholine

Structural Information

Molecular Formula
C17H25NO
SMILES
C1CCC(CC1)(CN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H25NO/c1-3-7-16(8-4-1)17(9-5-2-6-10-17)15-18-11-13-19-14-12-18/h1,3-4,7-8H,2,5-6,9-15H2
InChIKey
VXGCBRQAAYLTLQ-UHFFFAOYSA-N
Compound name
4-[(1-phenylcyclohexyl)methyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 164.2
[M+Na]+ 282.182818 165.6
[M-H]- 258.186324 170.7
[M+NH4]+ 277.227423 178.7
[M+K]+ 298.156758 163.3
[M+H-H2O]+ 242.190860 154.2
[M+HCOO]- 304.191801 178.2
[M+CH3COO]- 318.207451 173.3
[M+Na-2H]- 280.168266 168.3
[M]+ 259.19305142 155.6
[M]- 259.19414858 155.6
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

patents stripe