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]+ 182.063416 139.5
[M+Na]+ 204.045358 148.7
[M-H]- 180.048864 144.4
[M+NH4]+ 199.089963 164.6
[M+K]+ 220.019298 146.1
[M+H-H2O]+ 164.053400 135.4
[M+HCOO]- 226.054341 158.6
[M+CH3COO]- 240.069991 181.7
[M+Na-2H]- 202.030806 139.0
[M]+ 181.05559142 140.2
[M]- 181.05668858 140.2
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.