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

2
Patents

238.03336 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04064 150.9
[M+Na]+ 261.02258 154.6
[M-H]- 237.02608 147.4
[M+NH4]+ 256.06718 166.8
[M+K]+ 276.99652 151.7
[M+H-H2O]+ 221.03062 145.3
[M+HCOO]- 283.03156 156.5
[M+CH3COO]- 297.04721 186.3
[M+Na-2H]- 259.00803 146.5
[M]+ 238.03281 153.5
[M]- 238.03391 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