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]+ 171.05867 135.0
[M+Na]+ 193.04061 145.3
[M-H]- 169.04411 137.8
[M+NH4]+ 188.08521 158.4
[M+K]+ 209.01455 143.9
[M+H-H2O]+ 153.04865 129.6
[M+HCOO]- 215.04959 152.1
[M+CH3COO]- 229.06524 149.1
[M+Na-2H]- 191.02606 135.9
[M]+ 170.05084 137.5
[M]- 170.05194 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.