CID 208055

4-methyl-4-(3-(3-thenoyl)propyl)morpholinium iodide

Structural Information

Molecular Formula
C13H20NO2S
SMILES
C[N+]1(CCOCC1)CCCC(=O)C2=CSC=C2
InChI
InChI=1S/C13H20NO2S/c1-14(6-8-16-9-7-14)5-2-3-13(15)12-4-10-17-11-12/h4,10-11H,2-3,5-9H2,1H3/q+1
InChIKey
YAPUOUXGMPFEGN-UHFFFAOYSA-N
Compound name
4-(4-methylmorpholin-4-ium-4-yl)-1-thiophen-3-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12148 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12876 156.0
[M+Na]+ 277.11070 161.0
[M-H]- 253.11420 161.4
[M+NH4]+ 272.15530 174.1
[M+K]+ 293.08464 154.1
[M+H-H2O]+ 237.11874 152.3
[M+HCOO]- 299.11968 169.3
[M+CH3COO]- 313.13533 183.3
[M+Na-2H]- 275.09615 159.4
[M]+ 254.12093 154.6
[M]- 254.12203 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.