CID 145750

Desbenzyl ibp

Structural Information

Molecular Formula

C₆H₁₅O₃PS

SMILES

CC(C)OP(=S)(O)OC(C)C

InChI

InChI=1S/C6H15O3PS/c1-5(2)8-10(7,11)9-6(3)4/h5-6H,1-4H3,(H,7,11)

InChIKey

RPSWUJJTYUNDDU-UHFFFAOYSA-N

Compound name

hydroxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 441
Patents: 198.04796 Da
Monoisotopic Mass: 2.3
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]+	199.05524	142.9
[M+Na]+	221.03718	149.0
[M-H]-	197.04068	140.9
[M+NH4]+	216.08178	162.6
[M+K]+	237.01112	148.7
[M+H-H2O]+	181.04522	136.0
[M+HCOO]-	243.04616	162.6
[M+CH3COO]-	257.06181	182.3
[M+Na-2H]-	219.02263	141.2
[M]+	198.04741	147.6
[M]-	198.04851	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe