CID 132605908

3-meo-pcmo

Structural Information

Molecular Formula
C17H25NO2
SMILES
COC1=CC=CC(=C1)C2(CCCCC2)N3CCOCC3
InChI
InChI=1S/C17H25NO2/c1-19-16-7-5-6-15(14-16)17(8-3-2-4-9-17)18-10-12-20-13-11-18/h5-7,14H,2-4,8-13H2,1H3
InChIKey
BOGOEDFWPOXWQE-UHFFFAOYSA-N
Compound name
4-[1-(3-methoxyphenyl)cyclohexyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

275.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 167.4
[M+Na]+ 298.17776 169.7
[M-H]- 274.18126 174.3
[M+NH4]+ 293.22236 181.5
[M+K]+ 314.15170 168.0
[M+H-H2O]+ 258.18580 157.5
[M+HCOO]- 320.18674 181.6
[M+CH3COO]- 334.20239 176.7
[M+Na-2H]- 296.16321 170.9
[M]+ 275.18799 160.7
[M]- 275.18909 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe