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]+	154.04500	132.5
[M+Na]+	176.02694	140.3
[M+NH4]+	171.07154	140.0
[M+K]+	192.00088	134.9
[M-H]-	152.03044	131.3
[M+Na-2H]-	174.01239	134.3
[M]+	153.03717	133.4
[M]-	153.03827	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.