CID 66020430

1481935-66-3

Structural Information

Molecular Formula
C7H13N3O2S
SMILES
CC1=NN(C=C1S(=O)(=O)N)C(C)C
InChI
InChI=1S/C7H13N3O2S/c1-5(2)10-4-7(6(3)9-10)13(8,11)12/h4-5H,1-3H3,(H2,8,11,12)
InChIKey
VREXESIGMQFVSJ-UHFFFAOYSA-N
Compound name
3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.07285 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.08013 143.1
[M+Na]+ 226.06207 153.0
[M-H]- 202.06557 144.8
[M+NH4]+ 221.10667 161.8
[M+K]+ 242.03601 150.8
[M+H-H2O]+ 186.07011 137.0
[M+HCOO]- 248.07105 159.7
[M+CH3COO]- 262.08670 184.6
[M+Na-2H]- 224.04752 144.1
[M]+ 203.07230 145.5
[M]- 203.07340 145.5
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