CID 3080452

5h-pyrrolo(1,2-a)imidazole-2-thiol, 6,7-dihydro-

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1CC2=NC(=CN2C1)S
InChI
InChI=1S/C6H8N2S/c9-6-4-8-3-1-2-5(8)7-6/h4,9H,1-3H2
InChIKey
PQPFQDNMAGEJKB-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-2-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04082 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 126.6
[M+Na]+ 163.03004 137.6
[M-H]- 139.03354 129.5
[M+NH4]+ 158.07464 151.4
[M+K]+ 179.00398 136.2
[M+H-H2O]+ 123.03808 121.2
[M+HCOO]- 185.03902 144.7
[M+CH3COO]- 199.05467 141.4
[M+Na-2H]- 161.01549 129.0
[M]+ 140.04027 128.6
[M]- 140.04137 128.6
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

No patent data available for this compound.