CID 161432

Methanesulfinic acid, nitrilotris-, trisodium salt

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

34
Patents

250.9592 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.96648 146.3
[M+Na]+ 273.94842 149.6
[M-H]- 249.95192 141.8
[M+NH4]+ 268.99302 160.1
[M+K]+ 289.92236 145.3
[M+H-H2O]+ 233.95646 139.8
[M+HCOO]- 295.95740 148.2
[M+CH3COO]- 309.97305 186.2
[M+Na-2H]- 271.93387 144.8
[M]+ 250.95865 147.1
[M]- 250.95975 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe