CID 264105

Ethyl 2-amino-4h,5h,6h-cyclopenta[b]thiophene-3-carboxylate

Structural Information

Molecular Formula
C10H13NO2S
SMILES
CCOC(=O)C1=C(SC2=C1CCC2)N
InChI
InChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
InChIKey
BOJXCJDYZJSPMZ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

62
Patents

211.0667 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 147.4
[M+Na]+ 234.05592 156.0
[M-H]- 210.05942 152.1
[M+NH4]+ 229.10052 171.2
[M+K]+ 250.02986 153.7
[M+H-H2O]+ 194.06396 143.0
[M+HCOO]- 256.06490 166.4
[M+CH3COO]- 270.08055 186.1
[M+Na-2H]- 232.04137 146.6
[M]+ 211.06615 149.8
[M]- 211.06725 149.8
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

patents stripe