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

1769
Patents

210.00204 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.009316 142.4
[M+Na]+ 232.991258 146.9
[M-H]- 208.994764 139.2
[M+NH4]+ 228.035863 159.4
[M+K]+ 248.965198 144.5
[M+H-H2O]+ 192.999300 137.2
[M+HCOO]- 255.000241 148.6
[M+CH3COO]- 269.015891 180.5
[M+Na-2H]- 230.976706 138.8
[M]+ 210.00149142 144.3
[M]- 210.00258858 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

literature stripe

Patent stripe

patents stripe