CID 3102534

1,3,5-trimethyl-1h-pyrazole-4-sulfonic acid

Structural Information

Molecular Formula
C6H10N2O3S
SMILES
CC1=C(C(=NN1C)C)S(=O)(=O)O
InChI
InChI=1S/C6H10N2O3S/c1-4-6(12(9,10)11)5(2)8(3)7-4/h1-3H3,(H,9,10,11)
InChIKey
PPZFWLBZGQWMEP-UHFFFAOYSA-N
Compound name
1,3,5-trimethylpyrazole-4-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

190.04121 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04849 141.4
[M+Na]+ 213.03043 151.7
[M+NH4]+ 208.07503 147.5
[M+K]+ 229.00437 148.3
[M-H]- 189.03393 139.4
[M+Na-2H]- 211.01588 143.8
[M]+ 190.04066 142.5
[M]- 190.04176 142.5
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