CID 3080454

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

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CS(=O)C1=CN2CCCC2=N1
InChI
InChI=1S/C7H10N2OS/c1-11(10)7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3
InChIKey
XJDSACWUCWIGEB-UHFFFAOYSA-N
Compound name
2-methylsulfinyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 135.0
[M+Na]+ 193.040608 145.3
[M-H]- 169.044114 137.8
[M+NH4]+ 188.085213 158.4
[M+K]+ 209.014548 143.9
[M+H-H2O]+ 153.048650 129.6
[M+HCOO]- 215.049591 152.1
[M+CH3COO]- 229.065241 149.1
[M+Na-2H]- 191.026056 135.9
[M]+ 170.05084142 137.5
[M]- 170.05193858 137.5
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.