CID 16227839

956571-71-4

Structural Information

Molecular Formula
C11H19N3O2S
SMILES
CC(C)(C)C1=NN(C(=C1)N)C2CCS(=O)(=O)C2
InChI
InChI=1S/C11H19N3O2S/c1-11(2,3)9-6-10(12)14(13-9)8-4-5-17(15,16)7-8/h6,8H,4-5,7,12H2,1-3H3
InChIKey
WQFAYWXQQKDDJF-UHFFFAOYSA-N
Compound name
5-tert-butyl-2-(1,1-dioxothiolan-3-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1198 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12708 157.4
[M+Na]+ 280.10902 167.1
[M-H]- 256.11252 162.3
[M+NH4]+ 275.15362 177.9
[M+K]+ 296.08296 164.4
[M+H-H2O]+ 240.11706 152.3
[M+HCOO]- 302.11800 173.6
[M+CH3COO]- 316.13365 192.5
[M+Na-2H]- 278.09447 157.2
[M]+ 257.11925 158.6
[M]- 257.12035 158.6
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.