CID 20264

(sec-butylidenedithio)diacetic acid

Structural Information

Molecular Formula
C8H14O4S2
SMILES
CCC(C)(SCC(=O)O)SCC(=O)O
InChI
InChI=1S/C8H14O4S2/c1-3-8(2,13-4-6(9)10)14-5-7(11)12/h3-5H2,1-2H3,(H,9,10)(H,11,12)
InChIKey
WJUAJNWYBNSKAO-UHFFFAOYSA-N
Compound name
2-[2-(carboxymethylsulfanyl)butan-2-ylsulfanyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.03336 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04064 154.2
[M+Na]+ 261.02258 159.7
[M+NH4]+ 256.06718 159.5
[M+K]+ 276.99652 153.9
[M-H]- 237.02608 150.3
[M+Na-2H]- 259.00803 152.8
[M]+ 238.03281 154.3
[M]- 238.03391 154.3
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

patents stripe