CID 521009

N-methanesulfonylimidazole

Structural Information

Molecular Formula
C4H6N2O2S
SMILES
CS(=O)(=O)N1C=CN=C1
InChI
InChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3
InChIKey
ZBHRCOWHFHJZFP-UHFFFAOYSA-N
Compound name
1-methylsulfonylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

146.015 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02228 126.3
[M+Na]+ 169.00422 137.2
[M-H]- 145.00772 128.3
[M+NH4]+ 164.04882 147.6
[M+K]+ 184.97816 135.9
[M+H-H2O]+ 129.01226 120.6
[M+HCOO]- 191.01320 144.7
[M+CH3COO]- 205.02885 168.3
[M+Na-2H]- 166.98967 131.5
[M]+ 146.01445 129.3
[M]- 146.01555 129.3
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.