CID 596881

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

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C1CC2=C(C1)SC(=C2C(=O)N)N
InChI
InChI=1S/C8H10N2OS/c9-7(11)6-4-2-1-3-5(4)12-8(6)10/h1-3,10H2,(H2,9,11)
InChIKey
CIYGFKXNRTYHLB-UHFFFAOYSA-N
Compound name
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

24
Patents

182.05139 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05867 137.6
[M+Na]+ 205.04061 146.2
[M-H]- 181.04411 142.0
[M+NH4]+ 200.08521 161.9
[M+K]+ 221.01455 143.4
[M+H-H2O]+ 165.04865 133.1
[M+HCOO]- 227.04959 157.3
[M+CH3COO]- 241.06524 183.1
[M+Na-2H]- 203.02606 137.4
[M]+ 182.05084 136.2
[M]- 182.05194 136.2
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

patents stripe