CID 258182

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

Structural Information

Molecular Formula
C8H8N2S
SMILES
C1CC2=C(C1)SC(=C2C#N)N
InChI
InChI=1S/C8H8N2S/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,10H2
InChIKey
RILAXFOADRDGPQ-UHFFFAOYSA-N
Compound name
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

77
Patents

164.04082 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.048096 141.0
[M+Na]+ 187.030038 153.5
[M-H]- 163.033544 145.9
[M+NH4]+ 182.074643 164.4
[M+K]+ 203.003978 148.8
[M+H-H2O]+ 147.038080 130.0
[M+HCOO]- 209.039021 157.6
[M+CH3COO]- 223.054671 153.9
[M+Na-2H]- 185.015486 141.9
[M]+ 164.04027142 136.4
[M]- 164.04136858 136.4
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