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 139.5
[M+Na]+ 204.04536 148.7
[M-H]- 180.04886 144.4
[M+NH4]+ 199.08996 164.6
[M+K]+ 220.01930 146.1
[M+H-H2O]+ 164.05340 135.4
[M+HCOO]- 226.05434 158.6
[M+CH3COO]- 240.06999 181.7
[M+Na-2H]- 202.03081 139.0
[M]+ 181.05559 140.2
[M]- 181.05669 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.