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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.074676	155.9
[M+Na]+	281.056618	162.6
[M-H]-	257.060124	157.1
[M+NH4]+	276.101223	171.0
[M+K]+	297.030558	160.6
[M+H-H2O]+	241.064660	149.3
[M+HCOO]-	303.065601	170.7
[M+CH3COO]-	317.081251	190.9
[M+Na-2H]-	279.042066	158.6
[M]+	258.06685142	158.8
[M]-	258.06794858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.