CID 208052

31634-09-0

Structural Information

Molecular Formula
C12H17NO2S
SMILES
C1COCCN1CCCC(=O)C2=CSC=C2
InChI
InChI=1S/C12H17NO2S/c14-12(11-3-9-16-10-11)2-1-4-13-5-7-15-8-6-13/h3,9-10H,1-2,4-8H2
InChIKey
RBSCVEFELYAYLL-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-1-thiophen-3-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.098 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.105276 154.4
[M+Na]+ 262.087218 159.3
[M-H]- 238.090724 159.5
[M+NH4]+ 257.131823 171.2
[M+K]+ 278.061158 157.9
[M+H-H2O]+ 222.095260 147.3
[M+HCOO]- 284.096201 168.5
[M+CH3COO]- 298.111851 187.4
[M+Na-2H]- 260.072666 154.4
[M]+ 239.09745142 154.3
[M]- 239.09854858 154.3
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.