CID 193536

Hcetc

Structural Information

Molecular Formula
C6H11NO5S2
SMILES
C([C@@H](C(=O)O)N)SSCC(C(=O)O)O
InChI
InChI=1S/C6H11NO5S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4,8H,1-2,7H2,(H,9,10)(H,11,12)/t3-,4?/m0/s1
InChIKey
MAFDYIDMXCXBRB-WUCPZUCCSA-N
Compound name
(2R)-2-amino-3-[(2-carboxy-2-hydroxyethyl)disulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

241.00786 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.015136 149.0
[M+Na]+ 263.997078 151.7
[M-H]- 240.000584 143.3
[M+NH4]+ 259.041683 163.0
[M+K]+ 279.971018 148.3
[M+H-H2O]+ 224.005120 143.0
[M+HCOO]- 286.006061 154.1
[M+CH3COO]- 300.021711 184.8
[M+Na-2H]- 261.982526 144.9
[M]+ 241.00731142 148.4
[M]- 241.00840858 148.4
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