CID 3051040

67242-37-9

Structural Information

Molecular Formula

C₄H₁₂NOPS

SMILES

CC(C)P(=O)(N)SC

InChI

InChI=1S/C4H12NOPS/c1-4(2)7(5,6)8-3/h4H,1-3H3,(H2,5,6)

InChIKey

ZSCUOULIQNVTPL-UHFFFAOYSA-N

Compound name

2-[amino(methylsulfanyl)phosphoryl]propane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 153.03772 Da
Monoisotopic Mass: -0.1
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]+	154.044996	131.6
[M+Na]+	176.026938	138.5
[M-H]-	152.030444	130.7
[M+NH4]+	171.071543	153.3
[M+K]+	192.000878	137.7
[M+H-H2O]+	136.034980	124.6
[M+HCOO]-	198.035921	154.1
[M+CH3COO]-	212.051571	178.2
[M+Na-2H]-	174.012386	131.2
[M]+	153.03717142	133.2
[M]-	153.03826858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.