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]+ 184.04268 138.2
[M+Na]+ 206.02462 147.1
[M-H]- 182.02812 141.8
[M+NH4]+ 201.06922 162.3
[M+K]+ 221.99856 144.3
[M+H-H2O]+ 166.03266 134.3
[M+HCOO]- 228.03360 156.2
[M+CH3COO]- 242.04925 178.3
[M+Na-2H]- 204.01007 138.0
[M]+ 183.03485 138.1
[M]- 183.03595 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