CID 333160

71691-71-9

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
CN1C=CN=C1S(=O)(=O)C
InChI
InChI=1S/C5H8N2O2S/c1-7-4-3-6-5(7)10(2,8)9/h3-4H,1-2H3
InChIKey
GXMPTOIKNNBAAM-UHFFFAOYSA-N
Compound name
1-methyl-2-methylsulfonylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

160.03065 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 130.2
[M+Na]+ 183.01987 141.5
[M-H]- 159.02337 132.4
[M+NH4]+ 178.06447 151.2
[M+K]+ 198.99381 140.0
[M+H-H2O]+ 143.02791 124.7
[M+HCOO]- 205.02885 148.3
[M+CH3COO]- 219.04450 172.4
[M+Na-2H]- 181.00532 134.3
[M]+ 160.03010 134.0
[M]- 160.03120 134.0
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

patents stripe