CID 137949950

2172473-22-0

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1)S(=O)O
InChI
InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(13)12-7-4-5-8(11-6-7)17(14)15/h4-6H,1-3H3,(H,12,13)(H,14,15)
InChIKey
DYWZUYMFRKZKLA-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0674 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 156.7
[M+Na]+ 281.05662 165.2
[M+NH4]+ 276.10122 161.9
[M+K]+ 297.03056 160.9
[M-H]- 257.06012 155.5
[M+Na-2H]- 279.04207 159.9
[M]+ 258.06685 157.6
[M]- 258.06795 157.6
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.