CID 57587962

4-methanesulfonyl-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
CN1C=C(C=N1)S(=O)(=O)C
InChI
InChI=1S/C5H8N2O2S/c1-7-4-5(3-6-7)10(2,8)9/h3-4H,1-2H3
InChIKey
RANRCVOZERUTIP-UHFFFAOYSA-N
Compound name
1-methyl-4-methylsulfonylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

160.03065 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.037926 130.2
[M+Na]+ 183.019868 141.5
[M-H]- 159.023374 132.4
[M+NH4]+ 178.064473 151.2
[M+K]+ 198.993808 140.0
[M+H-H2O]+ 143.027910 124.7
[M+HCOO]- 205.028851 148.3
[M+CH3COO]- 219.044501 172.4
[M+Na-2H]- 181.005316 134.3
[M]+ 160.03010142 134.0
[M]- 160.03119858 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