CID 167267

(2r)-2-amino-3-[(carboxymethyl)disulfanyl]propanoic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO4S2
SMILES
C([C@@H](C(=O)O)N)SSCC(=O)O
InChI
InChI=1S/C5H9NO4S2/c6-3(5(9)10)1-11-12-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKey
UNYCMVYZPHQQBE-VKHMYHEASA-N
Compound name
(2R)-2-amino-3-(carboxymethyldisulfanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

210.9973 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00458 141.9
[M+Na]+ 233.98652 146.2
[M-H]- 209.99002 138.0
[M+NH4]+ 229.03112 158.2
[M+K]+ 249.96046 142.8
[M+H-H2O]+ 193.99456 136.1
[M+HCOO]- 255.99550 149.6
[M+CH3COO]- 270.01115 181.0
[M+Na-2H]- 231.97197 139.4
[M]+ 210.99675 142.0
[M]- 210.99785 142.0
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