CID 161432

Trisodium nitrilotrimethanesulphinate

Structural Information

Molecular Formula

C₃H₉NO₆S₃

SMILES

C(N(CS(=O)O)CS(=O)O)S(=O)O

InChI

InChI=1S/C3H9NO6S3/c5-11(6)1-4(2-12(7)8)3-13(9)10/h1-3H2,(H,5,6)(H,7,8)(H,9,10)

InChIKey

RXILGWFNTZZRRF-UHFFFAOYSA-N

Compound name

[bis(sulfinomethyl)amino]methanesulfinic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 32
Patents: 250.9592 Da
Monoisotopic Mass: -1.9
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]+	251.96648	146.7
[M+Na]+	273.94842	149.4
[M+NH4]+	268.99302	150.8
[M+K]+	289.92236	145.2
[M-H]-	249.95192	142.2
[M+Na-2H]-	271.93387	144.1
[M]+	250.95865	146.3
[M]-	250.95975	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe