CID 13342783

1,3-dimethyl-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C5H9N3O2S
SMILES
CC1=NN(C=C1S(=O)(=O)N)C
InChI
InChI=1S/C5H9N3O2S/c1-4-5(11(6,9)10)3-8(2)7-4/h3H,1-2H3,(H2,6,9,10)
InChIKey
FQQRVLUHFKWHRT-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

175.04155 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.04883 134.3
[M+Na]+ 198.03077 145.4
[M-H]- 174.03427 136.2
[M+NH4]+ 193.07537 154.3
[M+K]+ 214.00471 143.2
[M+H-H2O]+ 158.03881 128.5
[M+HCOO]- 220.03975 152.6
[M+CH3COO]- 234.05540 177.7
[M+Na-2H]- 196.01622 137.3
[M]+ 175.04100 136.6
[M]- 175.04210 136.6
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