CID 24949188

1055888-89-5

Structural Information

Molecular Formula

C₁₁H₂₅O₃PS

SMILES

CC(C)(C)P(CCCS(=O)(=O)O)C(C)(C)C

InChI

InChI=1S/C11H25O3PS/c1-10(2,3)15(11(4,5)6)8-7-9-16(12,13)14/h7-9H2,1-6H3,(H,12,13,14)

InChIKey

JPNPRWMRUCIEMN-UHFFFAOYSA-N

Compound name

3-ditert-butylphosphanylpropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 255
Patents: 268.1262 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]+	269.13348	165.1
[M+Na]+	291.11542	170.4
[M-H]-	267.11892	162.8
[M+NH4]+	286.16002	182.3
[M+K]+	307.08936	168.9
[M+H-H2O]+	251.12346	158.5
[M+HCOO]-	313.12440	181.4
[M+CH3COO]-	327.14005	195.2
[M+Na-2H]-	289.10087	164.8
[M]+	268.12565	170.3
[M]-	268.12675	170.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe