CID 207724

30560-26-0

Structural Information

Molecular Formula

C₆H₁₄NO₃PS

SMILES

CCCC(=O)NP(=O)(OC)SC

InChI

InChI=1S/C6H14NO3PS/c1-4-5-6(8)7-11(9,10-2)12-3/h4-5H2,1-3H3,(H,7,8,9)

InChIKey

DRFWNARXWNRANJ-UHFFFAOYSA-N

Compound name

N-[methoxy(methylsulfanyl)phosphoryl]butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.0432 Da
Monoisotopic Mass: 0.0
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]+	212.05048	144.9
[M+Na]+	234.03242	151.1
[M-H]-	210.03592	144.1
[M+NH4]+	229.07702	164.4
[M+K]+	250.00636	150.4
[M+H-H2O]+	194.04046	137.2
[M+HCOO]-	256.04140	168.2
[M+CH3COO]-	270.05705	187.3
[M+Na-2H]-	232.01787	145.2
[M]+	211.04265	150.4
[M]-	211.04375	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe