CID 2245998

65134-74-9

Structural Information

Molecular Formula
C8H14O4S2
SMILES
C[C@H](CSSC[C@@H](C)C(=O)O)C(=O)O
InChI
InChI=1S/C8H14O4S2/c1-5(7(9)10)3-13-14-4-6(2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKey
AQLWLHRHIFTILV-PHDIDXHHSA-N
Compound name
(2S)-3-[[(2S)-2-carboxypropyl]disulfanyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.03336 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.040636 150.9
[M+Na]+ 261.022578 154.6
[M-H]- 237.026084 147.4
[M+NH4]+ 256.067183 166.8
[M+K]+ 276.996518 151.7
[M+H-H2O]+ 221.030620 145.3
[M+HCOO]- 283.031561 156.5
[M+CH3COO]- 297.047211 186.3
[M+Na-2H]- 259.008026 146.5
[M]+ 238.03281142 153.5
[M]- 238.03390858 153.5
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