CID 3065718

(1-alpha,2-beta,6-beta)-2-(4-morpholinyl)-6-phenoxycyclohexanol

Structural Information

Molecular Formula
C16H23NO3
SMILES
C1C[C@@H]([C@H]([C@@H](C1)OC2=CC=CC=C2)O)N3CCOCC3
InChI
InChI=1S/C16H23NO3/c18-16-14(17-9-11-19-12-10-17)7-4-8-15(16)20-13-5-2-1-3-6-13/h1-3,5-6,14-16,18H,4,7-12H2/t14-,15+,16+/m0/s1
InChIKey
FHHGKBRAWKGWJG-ARFHVFGLSA-N
Compound name
(1R,2S,6R)-2-morpholin-4-yl-6-phenoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 165.7
[M+Na]+ 300.15702 167.8
[M-H]- 276.16052 171.5
[M+NH4]+ 295.20162 177.3
[M+K]+ 316.13096 165.7
[M+H-H2O]+ 260.16506 156.1
[M+HCOO]- 322.16600 178.9
[M+CH3COO]- 336.18165 174.6
[M+Na-2H]- 298.14247 167.9
[M]+ 277.16725 158.5
[M]- 277.16835 158.5
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.