CID 43531699

2260937-05-9

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
C1CS(=O)(=O)CC1N2C=C(C=N2)N
InChI
InChI=1S/C7H11N3O2S/c8-6-3-9-10(4-6)7-1-2-13(11,12)5-7/h3-4,7H,1-2,5,8H2
InChIKey
IVTUQRCGUSIBGT-UHFFFAOYSA-N
Compound name
1-(1,1-dioxothiolan-3-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0572 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.064476 139.0
[M+Na]+ 224.046418 149.3
[M-H]- 200.049924 143.9
[M+NH4]+ 219.091023 161.3
[M+K]+ 240.020358 147.0
[M+H-H2O]+ 184.054460 133.3
[M+HCOO]- 246.055401 158.1
[M+CH3COO]- 260.071051 179.7
[M+Na-2H]- 222.031866 140.2
[M]+ 201.05665142 139.0
[M]- 201.05774858 139.0
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.