CID 391061

Nsc689598

Structural Information

Molecular Formula
C8H9NOS
SMILES
CC1=CC2=C(S1)C(CC2=O)N
InChI
InChI=1S/C8H9NOS/c1-4-2-5-7(10)3-6(9)8(5)11-4/h2,6H,3,9H2,1H3
InChIKey
UNXFBRUXOQOGHF-UHFFFAOYSA-N
Compound name
6-amino-2-methyl-5,6-dihydrocyclopenta[b]thiophen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.04048 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.04776 133.7
[M+Na]+ 190.02970 144.5
[M-H]- 166.03320 139.1
[M+NH4]+ 185.07430 159.7
[M+K]+ 206.00364 141.6
[M+H-H2O]+ 150.03774 130.0
[M+HCOO]- 212.03868 154.1
[M+CH3COO]- 226.05433 179.0
[M+Na-2H]- 188.01515 134.2
[M]+ 167.03993 135.0
[M]- 167.04103 135.0
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.