CID 158190

Promexal

Structural Information

Molecular Formula
C7H9NOS
SMILES
CN1C(=O)C2=C(S1)CCC2
InChI
InChI=1S/C7H9NOS/c1-8-7(9)5-3-2-4-6(5)10-8/h2-4H2,1H3
InChIKey
PZOGAKOZVSTZSO-UHFFFAOYSA-N
Compound name
2-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]thiazol-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

1391
Patents

155.04048 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 130.2
[M+Na]+ 178.02970 141.6
[M-H]- 154.03320 134.7
[M+NH4]+ 173.07430 155.9
[M+K]+ 194.00364 139.7
[M+H-H2O]+ 138.03774 125.9
[M+HCOO]- 200.03868 149.5
[M+CH3COO]- 214.05433 145.4
[M+Na-2H]- 176.01515 131.8
[M]+ 155.03993 133.1
[M]- 155.04103 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe