CID 5151249

2-amino-4h,5h,6h-cyclopenta[b]thiophene-3-carboxylic acid

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CC2=C(C1)SC(=C2C(=O)O)N
InChI
InChI=1S/C8H9NO2S/c9-7-6(8(10)11)4-2-1-3-5(4)12-7/h1-3,9H2,(H,10,11)
InChIKey
GYWYRJBGPKHKCX-UHFFFAOYSA-N
Compound name
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 138.2
[M+Na]+ 206.024618 147.1
[M-H]- 182.028124 141.8
[M+NH4]+ 201.069223 162.3
[M+K]+ 221.998558 144.3
[M+H-H2O]+ 166.032660 134.3
[M+HCOO]- 228.033601 156.2
[M+CH3COO]- 242.049251 178.3
[M+Na-2H]- 204.010066 138.0
[M]+ 183.03485142 138.1
[M]- 183.03594858 138.1
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

patents stripe