CID 71302587

1417794-40-1

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1COCCN1CC(=O)C2=NC=CS2
InChI
InChI=1S/C9H12N2O2S/c12-8(9-10-1-6-14-9)7-11-2-4-13-5-3-11/h1,6H,2-5,7H2
InChIKey
FHDKUXLJURXETO-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-1-(1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06195 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 144.6
[M+Na]+ 235.051168 151.0
[M-H]- 211.054674 148.9
[M+NH4]+ 230.095773 161.2
[M+K]+ 251.025108 150.2
[M+H-H2O]+ 195.059210 137.3
[M+HCOO]- 257.060151 158.5
[M+CH3COO]- 271.075801 181.2
[M+Na-2H]- 233.036616 146.0
[M]+ 212.06140142 144.0
[M]- 212.06249858 144.0
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.