CID 207380

29809-48-1

Structural Information

Molecular Formula

C₂H₈NOPS₂

SMILES

COP(=S)(N)SC

InChI

InChI=1S/C2H8NOPS2/c1-4-5(3,6)7-2/h1-2H3,(H2,3,6)

InChIKey

FZRICVRXKDJRNP-UHFFFAOYSA-N

Compound name

[amino(methylsulfanyl)phosphinothioyl]oxymethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 156.9785 Da
Monoisotopic Mass: 0.8
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]+	157.98578	125.3
[M+Na]+	179.96772	133.0
[M-H]-	155.97122	124.2
[M+NH4]+	175.01232	146.7
[M+K]+	195.94166	130.4
[M+H-H2O]+	139.97576	117.9
[M+HCOO]-	201.97670	143.7
[M+CH3COO]-	215.99235	176.4
[M+Na-2H]-	177.95317	124.9
[M]+	156.97795	127.0
[M]-	156.97905	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe