CID 65354676

1368328-51-1

Structural Information

Molecular Formula
C9H11NOS
SMILES
CC(=O)C1=C(SC2=C1CCC2)N
InChI
InChI=1S/C9H11NOS/c1-5(11)8-6-3-2-4-7(6)12-9(8)10/h2-4,10H2,1H3
InChIKey
BWVFRMWWDMKVNA-UHFFFAOYSA-N
Compound name
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05614 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 138.7
[M+Na]+ 204.04536 147.4
[M+NH4]+ 199.08996 148.2
[M+K]+ 220.01930 143.8
[M-H]- 180.04886 140.6
[M+Na-2H]- 202.03081 141.4
[M]+ 181.05559 140.7
[M]- 181.05669 140.7
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

No patent data available for this compound.