CID 2916

Phosphocysteamine

Structural Information

Molecular Formula

C₂H₈NO₃PS

SMILES

C(CSP(=O)(O)O)N

InChI

InChI=1S/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)

InChIKey

RZPNFYXFSHGGBE-UHFFFAOYSA-N

Compound name

2-aminoethylsulfanylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 52
References: 262
Patents: 156.99625 Da
Monoisotopic Mass: -4.4
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]+	158.00353	129.8
[M+Na]+	179.98547	136.2
[M+NH4]+	175.03007	135.9
[M+K]+	195.95941	132.3
[M-H]-	155.98897	126.8
[M+Na-2H]-	177.97092	130.4
[M]+	156.99570	129.8
[M]-	156.99680	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe