CID 46784924

1-{4h,5h,6h-cyclopenta[d][1,3]thiazol-2-yl}ethan-1-one

Structural Information

Molecular Formula
C8H9NOS
SMILES
CC(=O)C1=NC2=C(S1)CCC2
InChI
InChI=1S/C8H9NOS/c1-5(10)8-9-6-3-2-4-7(6)11-8/h2-4H2,1H3
InChIKey
LDLALUDRYCZSDR-UHFFFAOYSA-N
Compound name
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.04048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.047756 135.5
[M+Na]+ 190.029698 145.3
[M-H]- 166.033204 139.6
[M+NH4]+ 185.074303 160.3
[M+K]+ 206.003638 143.7
[M+H-H2O]+ 150.037740 130.8
[M+HCOO]- 212.038681 153.5
[M+CH3COO]- 226.054331 176.1
[M+Na-2H]- 188.015146 136.2
[M]+ 167.03993142 137.8
[M]- 167.04102858 137.8
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.