CID 165472266

Methyl 2-(4-methanesulfonyl-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C7H10N2O4S
SMILES
COC(=O)CN1C=C(C=N1)S(=O)(=O)C
InChI
InChI=1S/C7H10N2O4S/c1-13-7(10)5-9-4-6(3-8-9)14(2,11)12/h3-4H,5H2,1-2H3
InChIKey
RHDMYJPUARTWGF-UHFFFAOYSA-N
Compound name
methyl 2-(4-methylsulfonylpyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03613 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.043406 144.5
[M+Na]+ 241.025348 154.5
[M-H]- 217.028854 146.5
[M+NH4]+ 236.069953 162.8
[M+K]+ 256.999288 153.3
[M+H-H2O]+ 201.033390 138.5
[M+HCOO]- 263.034331 161.5
[M+CH3COO]- 277.049981 181.8
[M+Na-2H]- 239.010796 147.0
[M]+ 218.03558142 150.4
[M]- 218.03667858 150.4
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.