CID 137965650

2230803-48-0

Structural Information

Molecular Formula
C11H17N3O4S
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(C=N2)S(=O)O)C1
InChI
InChI=1S/C11H17N3O4S/c1-11(2,3)18-10(15)13-4-5-14-8(7-13)9(6-12-14)19(16)17/h6H,4-5,7H2,1-3H3,(H,16,17)
InChIKey
IBKFBCJKQCJECG-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.09396 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10124 164.6
[M+Na]+ 310.08318 172.3
[M+NH4]+ 305.12778 169.5
[M+K]+ 326.05712 170.2
[M-H]- 286.08668 161.5
[M+Na-2H]- 308.06863 164.8
[M]+ 287.09341 164.8
[M]- 287.09451 164.8
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.