CID 831616

(2s)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC1=CC(=C(C=C1)C)OC[C@H](CN2CCOCC2)O
InChI
InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1
InChIKey
HVMGGHDPXHODHE-AWEZNQCLSA-N
Compound name
(2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

265.1678 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 163.9
[M+Na]+ 288.157018 168.0
[M-H]- 264.160524 167.5
[M+NH4]+ 283.201623 176.8
[M+K]+ 304.130958 166.6
[M+H-H2O]+ 248.165060 155.5
[M+HCOO]- 310.166001 179.5
[M+CH3COO]- 324.181651 195.4
[M+Na-2H]- 286.142466 166.1
[M]+ 265.16725142 162.7
[M]- 265.16834858 162.7
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