CID 171294

53705-85-4

Structural Information

Molecular Formula

C₃H₈NO₃PS

SMILES

CC(=O)NP(=S)(O)OC

InChI

InChI=1S/C3H8NO3PS/c1-3(5)4-8(6,9)7-2/h1-2H3,(H2,4,5,6,9)

InChIKey

CQAJJVQRLHECQV-UHFFFAOYSA-N

Compound name

N-[hydroxy(methoxy)phosphinothioyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 168.99625 Da
Monoisotopic Mass: 0.2
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]+	170.00353	131.9
[M+Na]+	191.98547	138.9
[M-H]-	167.98897	130.2
[M+NH4]+	187.03007	152.3
[M+K]+	207.95941	138.0
[M+H-H2O]+	151.99351	125.0
[M+HCOO]-	213.99445	154.6
[M+CH3COO]-	228.01010	175.6
[M+Na-2H]-	189.97092	133.1
[M]+	168.99570	134.3
[M]-	168.99680	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe