CID 158824

85538-41-6

Structural Information

Molecular Formula

C₉H₂₀NOPS₃

SMILES

CCC(C)SP(=S)(N(CC)C=S)OCC

InChI

InChI=1S/C9H20NOPS3/c1-5-9(4)15-12(14,11-7-3)10(6-2)8-13/h8-9H,5-7H2,1-4H3

InChIKey

QFVAIUKRCOZAMU-UHFFFAOYSA-N

Compound name

N-[butan-2-ylsulfanyl(ethoxy)phosphinothioyl]-N-ethylmethanethioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 285.04446 Da
Monoisotopic Mass: 4.0
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]+	286.05174	157.4
[M+Na]+	308.03368	161.5
[M-H]-	284.03718	156.2
[M+NH4]+	303.07828	173.9
[M+K]+	324.00762	156.7
[M+H-H2O]+	268.04172	147.8
[M+HCOO]-	330.04266	167.7
[M+CH3COO]-	344.05831	206.1
[M+Na-2H]-	306.01913	152.9
[M]+	285.04391	161.3
[M]-	285.04501	161.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe