CID 9859309

1-(2-hydroxy-4-morpholinophenyl)ethanone

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC(=O)C1=C(C=C(C=C1)N2CCOCC2)O
InChI
InChI=1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3
InChIKey
YHKSBKQXCWHTQL-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4-morpholin-4-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

121
Patents

221.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 148.8
[M+Na]+ 244.09442 154.6
[M-H]- 220.09792 153.0
[M+NH4]+ 239.13902 163.5
[M+K]+ 260.06836 153.3
[M+H-H2O]+ 204.10246 141.2
[M+HCOO]- 266.10340 165.6
[M+CH3COO]- 280.11905 185.7
[M+Na-2H]- 242.07987 152.7
[M]+ 221.10465 145.9
[M]- 221.10575 145.9
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