CID 428025

2-methylpropane-2-sulfinic acid

Structural Information

Molecular Formula

C₄H₁₀O₂S

SMILES

CC(C)(C)S(=O)O

InChI

InChI=1S/C4H10O2S/c1-4(2,3)7(5)6/h1-3H3,(H,5,6)

InChIKey

DUWLIIPTRMQEAP-UHFFFAOYSA-N

Compound name

2-methylpropane-2-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1439
Patents: 122.04015 Da
Monoisotopic Mass: 0.4
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]+	123.047426	122.6
[M+Na]+	145.029368	130.7
[M-H]-	121.032874	122.4
[M+NH4]+	140.073973	145.1
[M+K]+	161.003308	130.1
[M+H-H2O]+	105.037410	119.0
[M+HCOO]-	167.038351	138.2
[M+CH3COO]-	181.054001	165.9
[M+Na-2H]-	143.014816	126.1
[M]+	122.03960142	124.3
[M]-	122.04069858	124.3

Literature stripe

literature stripe

Patent stripe

patents stripe