CID 155821994

2490398-62-2

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
C1COCCC1N2C(=CC=N2)S(=O)O
InChI
InChI=1S/C8H12N2O3S/c11-14(12)8-1-4-9-10(8)7-2-5-13-6-3-7/h1,4,7H,2-3,5-6H2,(H,11,12)
InChIKey
LPUBWEQEFLFQLB-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)pyrazole-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.05687 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 144.6
[M+Na]+ 239.04609 154.5
[M+NH4]+ 234.09069 151.8
[M+K]+ 255.02003 150.6
[M-H]- 215.04959 146.8
[M+Na-2H]- 237.03154 148.3
[M]+ 216.05632 146.8
[M]- 216.05742 146.8
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.