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]+ 260.20088 164.2
[M+Na]+ 282.18282 165.6
[M-H]- 258.18632 170.7
[M+NH4]+ 277.22742 178.7
[M+K]+ 298.15676 163.3
[M+H-H2O]+ 242.19086 154.2
[M+HCOO]- 304.19180 178.2
[M+CH3COO]- 318.20745 173.3
[M+Na-2H]- 280.16827 168.3
[M]+ 259.19305 155.6
[M]- 259.19415 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