CID 3065999

2-amino-2-phosphonoethanesulfonic acid hydrate

Structural Information

Molecular Formula

C₂H₈NO₆PS

SMILES

C(C(N)P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C2H8NO6PS/c3-2(10(4,5)6)1-11(7,8)9/h2H,1,3H2,(H2,4,5,6)(H,7,8,9)

InChIKey

WSFXKKKNMBVBAM-UHFFFAOYSA-N

Compound name

2-amino-2-phosphonoethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 204.98099 Da
Monoisotopic Mass: -5.8
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]+	205.98827	136.7
[M+Na]+	227.97021	142.8
[M-H]-	203.97371	131.4
[M+NH4]+	223.01481	153.3
[M+K]+	243.94415	141.4
[M+H-H2O]+	187.97825	130.0
[M+HCOO]-	249.97919	155.2
[M+CH3COO]-	263.99484	174.2
[M+Na-2H]-	225.95566	138.4
[M]+	204.98044	136.7
[M]-	204.98154	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe