CID 659021

6,7-dihydro-1-methyl-2-(methylthio)-5h-pyrrolo(1,2-a)imidazolium iodide

Structural Information

Molecular Formula
C8H13N2S
SMILES
CN1C2=[N+](CCC2)C=C1SC
InChI
InChI=1S/C8H13N2S/c1-9-7-4-3-5-10(7)6-8(9)11-2/h6H,3-5H2,1-2H3/q+1
InChIKey
VCJOOHFRTLHJEM-UHFFFAOYSA-N
Compound name
1-methyl-2-methylsulfanyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

169.07994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08722 134.5
[M+Na]+ 192.06916 145.3
[M-H]- 168.07266 137.8
[M+NH4]+ 187.11376 158.2
[M+K]+ 208.04310 138.1
[M+H-H2O]+ 152.07720 131.9
[M+HCOO]- 214.07814 151.7
[M+CH3COO]- 228.09379 171.7
[M+Na-2H]- 190.05461 137.9
[M]+ 169.07939 136.0
[M]- 169.08049 136.0
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.