CID 121160

4'-methoxy-3-morpholinopropiophenone hydrochloride

Structural Information

Molecular Formula
C14H19NO3
SMILES
COC1=CC=C(C=C1)C(=O)CCN2CCOCC2
InChI
InChI=1S/C14H19NO3/c1-17-13-4-2-12(3-5-13)14(16)6-7-15-8-10-18-11-9-15/h2-5H,6-11H2,1H3
InChIKey
MARDRZQLSPCWMG-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

249.13649 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.6
[M+Na]+ 272.12571 161.9
[M-H]- 248.12921 162.4
[M+NH4]+ 267.17031 171.4
[M+K]+ 288.09965 161.0
[M+H-H2O]+ 232.13375 149.0
[M+HCOO]- 294.13469 175.2
[M+CH3COO]- 308.15034 193.0
[M+Na-2H]- 270.11116 161.5
[M]+ 249.13594 156.8
[M]- 249.13704 156.8
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