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

121
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

literature stripe

Patent stripe

patents stripe