CID 12404576

1h,4h,5h,6h-cyclopenta[d]imidazole-2-thiol

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1CC2=C(C1)NC(=S)N2
InChI
InChI=1S/C6H8N2S/c9-6-7-4-2-1-3-5(4)8-6/h1-3H2,(H2,7,8,9)
InChIKey
JQOCDEYTHCYOPD-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrahydro-1H-cyclopenta[d]imidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 127.3
[M+Na]+ 163.03004 137.7
[M-H]- 139.03354 127.4
[M+NH4]+ 158.07464 150.6
[M+K]+ 179.00398 133.7
[M+H-H2O]+ 123.03808 122.5
[M+HCOO]- 185.03902 142.6
[M+CH3COO]- 199.05467 140.7
[M+Na-2H]- 161.01549 128.8
[M]+ 140.04027 124.9
[M]- 140.04137 124.9
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