CID 3051052

Phosphonamidothioic acid, p-methyl-, s-methyl ester

Structural Information

Molecular Formula

SMILES

CP(=O)(N)SC

InChI

InChI=1S/C2H8NOPS/c1-5(3,4)6-2/h1-2H3,(H2,3,4)

InChIKey

XAIODSBPGRTVTN-UHFFFAOYSA-N

Compound name

[amino(methylsulfanyl)phosphoryl]methane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 125.006424 Da
Monoisotopic Mass: -0.9
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]+	126.013700	122.2
[M+Na]+	147.995642	130.3
[M-H]-	123.999148	121.6
[M+NH4]+	143.040247	145.1
[M+K]+	163.969582	129.5
[M+H-H2O]+	108.003684	115.6
[M+HCOO]-	170.004625	146.4
[M+CH3COO]-	184.020275	171.3
[M+Na-2H]-	145.981090	123.9
[M]+	125.00587542	123.7
[M]-	125.00697258	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.