CID 268475

4'-morpholinopropiophenone

Structural Information

Molecular Formula
C13H17NO2
SMILES
CCC(=O)C1=CC=C(C=C1)N2CCOCC2
InChI
InChI=1S/C13H17NO2/c1-2-13(15)11-3-5-12(6-4-11)14-7-9-16-10-8-14/h3-6H,2,7-10H2,1H3
InChIKey
ZEFQETIGOMAQDT-UHFFFAOYSA-N
Compound name
1-(4-morpholin-4-ylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1457
Patents

219.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.9
[M+Na]+ 242.11515 154.9
[M-H]- 218.11865 155.0
[M+NH4]+ 237.15975 165.1
[M+K]+ 258.08909 153.6
[M+H-H2O]+ 202.12319 141.8
[M+HCOO]- 264.12413 167.7
[M+CH3COO]- 278.13978 187.9
[M+Na-2H]- 240.10060 154.4
[M]+ 219.12538 147.4
[M]- 219.12648 147.4
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