CID 3080455

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

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CS(=O)(=O)C1=CN2CCCC2=N1
InChI
InChI=1S/C7H10N2O2S/c1-12(10,11)7-5-9-4-2-3-6(9)8-7/h5H,2-4H2,1H3
InChIKey
XFNAXIDEDHOFSG-UHFFFAOYSA-N
Compound name
2-methylsulfonyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 139.6
[M+Na]+ 209.03552 150.5
[M-H]- 185.03902 142.6
[M+NH4]+ 204.08012 162.3
[M+K]+ 225.00946 148.9
[M+H-H2O]+ 169.04356 134.7
[M+HCOO]- 231.04450 156.5
[M+CH3COO]- 245.06015 176.6
[M+Na-2H]- 207.02097 142.5
[M]+ 186.04575 142.8
[M]- 186.04685 142.8
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.