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]+ 266.17508 163.9
[M+Na]+ 288.15702 168.0
[M-H]- 264.16052 167.5
[M+NH4]+ 283.20162 176.8
[M+K]+ 304.13096 166.6
[M+H-H2O]+ 248.16506 155.5
[M+HCOO]- 310.16600 179.5
[M+CH3COO]- 324.18165 195.4
[M+Na-2H]- 286.14247 166.1
[M]+ 265.16725 162.7
[M]- 265.16835 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.