CID 167731886

Tert-butyl n-(5-methanesulfonyl-1-methyl-1h-pyrazol-3-yl)carbamate

Structural Information

Molecular Formula
C10H17N3O4S
SMILES
CC(C)(C)OC(=O)NC1=NN(C(=C1)S(=O)(=O)C)C
InChI
InChI=1S/C10H17N3O4S/c1-10(2,3)17-9(14)11-7-6-8(13(4)12-7)18(5,15)16/h6H,1-5H3,(H,11,12,14)
InChIKey
FIACGDZIJGGHRO-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-methyl-5-methylsulfonylpyrazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09396 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10124 162.3
[M+Na]+ 298.08318 171.2
[M-H]- 274.08668 164.4
[M+NH4]+ 293.12778 178.4
[M+K]+ 314.05712 169.7
[M+H-H2O]+ 258.09122 156.3
[M+HCOO]- 320.09216 177.7
[M+CH3COO]- 334.10781 196.1
[M+Na-2H]- 296.06863 164.7
[M]+ 275.09341 168.1
[M]- 275.09451 168.1
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.