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]+ 187.053576 139.6
[M+Na]+ 209.035518 150.5
[M-H]- 185.039024 142.6
[M+NH4]+ 204.080123 162.3
[M+K]+ 225.009458 148.9
[M+H-H2O]+ 169.043560 134.7
[M+HCOO]- 231.044501 156.5
[M+CH3COO]- 245.060151 176.6
[M+Na-2H]- 207.020966 142.5
[M]+ 186.04575142 142.8
[M]- 186.04684858 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.