CID 3065718

108661-67-2

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]+ 278.175076 165.7
[M+Na]+ 300.157018 167.8
[M-H]- 276.160524 171.5
[M+NH4]+ 295.201623 177.3
[M+K]+ 316.130958 165.7
[M+H-H2O]+ 260.165060 156.1
[M+HCOO]- 322.166001 178.9
[M+CH3COO]- 336.181651 174.6
[M+Na-2H]- 298.142466 167.9
[M]+ 277.16725142 158.5
[M]- 277.16834858 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.