CID 145905150

2378503-64-9

Structural Information

Molecular Formula
C6H12N4O2S
SMILES
CC1=NN(C(=C1S(=O)(=O)N)CN)C
InChI
InChI=1S/C6H12N4O2S/c1-4-6(13(8,11)12)5(3-7)10(2)9-4/h3,7H2,1-2H3,(H2,8,11,12)
InChIKey
TVRHTBODVPLRAK-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1,3-dimethylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.0681 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07538 142.6
[M+Na]+ 227.05732 153.0
[M-H]- 203.06082 144.0
[M+NH4]+ 222.10192 160.9
[M+K]+ 243.03126 150.0
[M+H-H2O]+ 187.06536 136.3
[M+HCOO]- 249.06630 160.7
[M+CH3COO]- 263.08195 186.5
[M+Na-2H]- 225.04277 144.1
[M]+ 204.06755 143.7
[M]- 204.06865 143.7
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.