CID 408261

3-morpholinopropiophenone hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1COCCN1CCC(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14/h1-5H,6-11H2
InChIKey
FUFXUDYTHVEYBS-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

168
Patents

219.12593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.1
[M+Na]+ 242.11515 154.0
[M-H]- 218.11865 154.6
[M+NH4]+ 237.15975 164.9
[M+K]+ 258.08909 152.8
[M+H-H2O]+ 202.12319 141.7
[M+HCOO]- 264.12413 167.8
[M+CH3COO]- 278.13978 186.7
[M+Na-2H]- 240.10060 155.2
[M]+ 219.12538 147.1
[M]- 219.12648 147.1
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