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]+ 168.04776 135.5
[M+Na]+ 190.02970 145.3
[M-H]- 166.03320 139.6
[M+NH4]+ 185.07430 160.3
[M+K]+ 206.00364 143.7
[M+H-H2O]+ 150.03774 130.8
[M+HCOO]- 212.03868 153.5
[M+CH3COO]- 226.05433 176.1
[M+Na-2H]- 188.01515 136.2
[M]+ 167.03993 137.8
[M]- 167.04103 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.