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]+ 213.06923 144.6
[M+Na]+ 235.05117 151.0
[M-H]- 211.05467 148.9
[M+NH4]+ 230.09577 161.2
[M+K]+ 251.02511 150.2
[M+H-H2O]+ 195.05921 137.3
[M+HCOO]- 257.06015 158.5
[M+CH3COO]- 271.07580 181.2
[M+Na-2H]- 233.03662 146.0
[M]+ 212.06140 144.0
[M]- 212.06250 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.