CID 3051039

67242-36-8

Structural Information

Molecular Formula

C₄H₁₂NOPS

SMILES

CN(C)P(=O)(C)SC

InChI

InChI=1S/C4H12NOPS/c1-5(2)7(3,6)8-4/h1-4H3

InChIKey

JRCAWFOWOXUPGZ-UHFFFAOYSA-N

Compound name

N-methyl-N-[methyl(methylsulfanyl)phosphoryl]methanamine

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	130.0
[M+Na]+	176.02694	137.4
[M-H]-	152.03044	131.2
[M+NH4]+	171.07154	152.8
[M+K]+	192.00088	138.0
[M+H-H2O]+	136.03498	122.8
[M+HCOO]-	198.03592	154.7
[M+CH3COO]-	212.05157	181.7
[M+Na-2H]-	174.01239	131.3
[M]+	153.03717	134.7
[M]-	153.03827	134.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.