CID 3022657

3-morpholino-1-(2-thienyl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1COCCN1CCC(=O)C2=CC=CS2
InChI
InChI=1S/C11H15NO2S/c13-10(11-2-1-9-15-11)3-4-12-5-7-14-8-6-12/h1-2,9H,3-8H2
InChIKey
NIBBZUCSEIXLBU-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

225.08235 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 149.9
[M+Na]+ 248.07157 155.3
[M-H]- 224.07507 155.2
[M+NH4]+ 243.11617 167.3
[M+K]+ 264.04551 154.2
[M+H-H2O]+ 208.07961 143.1
[M+HCOO]- 270.08055 164.4
[M+CH3COO]- 284.09620 184.4
[M+Na-2H]- 246.05702 150.5
[M]+ 225.08180 149.5
[M]- 225.08290 149.5
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