CID 25418628

3684-00-2

Structural Information

Molecular Formula
C5H5NOS
SMILES
CC(=O)C1=CC=NS1
InChI
InChI=1S/C5H5NOS/c1-4(7)5-2-3-6-8-5/h2-3H,1H3
InChIKey
MBWMPBZHWMUNDQ-UHFFFAOYSA-N
Compound name
1-(1,2-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

127.009186 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.016462 122.2
[M+Na]+ 149.998404 131.8
[M-H]- 126.001910 125.4
[M+NH4]+ 145.043009 145.5
[M+K]+ 165.972344 130.8
[M+H-H2O]+ 110.006446 116.8
[M+HCOO]- 172.007387 141.7
[M+CH3COO]- 186.023037 167.9
[M+Na-2H]- 147.983852 125.3
[M]+ 127.00863742 124.4
[M]- 127.00973458 124.4
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

patents stripe