CID 12835610

51928-41-7

Structural Information

Molecular Formula

C₅H₁₂O₂S

SMILES

CC(C)(C)CS(=O)O

InChI

InChI=1S/C5H12O2S/c1-5(2,3)4-8(6)7/h4H2,1-3H3,(H,6,7)

InChIKey

BCXKEVMIYDMGOP-UHFFFAOYSA-N

Compound name

2,2-dimethylpropane-1-sulfinic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 136.0558 Da
Monoisotopic Mass: 1.1
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]+	137.063076	127.2
[M+Na]+	159.045018	134.8
[M-H]-	135.048524	126.7
[M+NH4]+	154.089623	149.1
[M+K]+	175.018958	133.9
[M+H-H2O]+	119.053060	123.4
[M+HCOO]-	181.054001	142.4
[M+CH3COO]-	195.069651	168.9
[M+Na-2H]-	157.030466	130.2
[M]+	136.05525142	129.2
[M]-	136.05634858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe