CID 521224

2,2'-dithiodipropionic acid

Structural Information

Molecular Formula
C6H10O4S2
SMILES
CC(C(=O)O)SSC(C)C(=O)O
InChI
InChI=1S/C6H10O4S2/c1-3(5(7)8)11-12-4(2)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)
InChIKey
UTDRPUGFHHVEDG-UHFFFAOYSA-N
Compound name
2-(1-carboxyethyldisulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1752
Patents

210.00204 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.00932 142.4
[M+Na]+ 232.99126 146.9
[M-H]- 208.99476 139.2
[M+NH4]+ 228.03586 159.4
[M+K]+ 248.96520 144.5
[M+H-H2O]+ 192.99930 137.2
[M+HCOO]- 255.00024 148.6
[M+CH3COO]- 269.01589 180.5
[M+Na-2H]- 230.97671 138.8
[M]+ 210.00149 144.3
[M]- 210.00259 144.3
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

No patent data available for this compound.