CID 383361

Diethyl 2-amino-5,6-dihydro-4h-cyclopenta[b]thiophene-3,4-dicarboxylate

Structural Information

Molecular Formula
C13H17NO4S
SMILES
CCOC(=O)C1CCC2=C1C(=C(S2)N)C(=O)OCC
InChI
InChI=1S/C13H17NO4S/c1-3-17-12(15)7-5-6-8-9(7)10(11(14)19-8)13(16)18-4-2/h7H,3-6,14H2,1-2H3
InChIKey
KFVIJNDDNWYXSZ-UHFFFAOYSA-N
Compound name
diethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

283.08783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09511 166.5
[M+Na]+ 306.07705 174.0
[M-H]- 282.08055 171.0
[M+NH4]+ 301.12165 187.3
[M+K]+ 322.05099 172.0
[M+H-H2O]+ 266.08509 161.9
[M+HCOO]- 328.08603 183.9
[M+CH3COO]- 342.10168 199.8
[M+Na-2H]- 304.06250 163.1
[M]+ 283.08728 171.7
[M]- 283.08838 171.7
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.