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]+ 141.048096 127.3
[M+Na]+ 163.030038 137.7
[M-H]- 139.033544 127.4
[M+NH4]+ 158.074643 150.6
[M+K]+ 179.003978 133.7
[M+H-H2O]+ 123.038080 122.5
[M+HCOO]- 185.039021 142.6
[M+CH3COO]- 199.054671 140.7
[M+Na-2H]- 161.015486 128.8
[M]+ 140.04027142 124.9
[M]- 140.04136858 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