CID 34488

Mecarphon

Structural Information

Molecular Formula

C₇H₁₄NO₄PS₂

SMILES

CN(C(=O)CSP(=S)(C)OC)C(=O)OC

InChI

InChI=1S/C7H14NO4PS2/c1-8(7(10)11-2)6(9)5-15-13(4,14)12-3/h5H2,1-4H3

InChIKey

PUTUPQVEMBRCAG-UHFFFAOYSA-N

Compound name

methyl N-[2-[methoxy(methyl)phosphinothioyl]sulfanylacetyl]-N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4814
Patents: 271.0102 Da
Monoisotopic Mass: 1.3
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]+	272.01748	153.9
[M+Na]+	293.99942	159.0
[M-H]-	270.00292	154.0
[M+NH4]+	289.04402	171.3
[M+K]+	309.97336	158.2
[M+H-H2O]+	254.00746	145.1
[M+HCOO]-	316.00840	171.0
[M+CH3COO]-	330.02405	198.8
[M+Na-2H]-	291.98487	151.1
[M]+	271.00965	161.1
[M]-	271.01075	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe