CID 3049606

N-(2-mercaptopropionyl)-l-cysteine-a

Structural Information

Molecular Formula
C6H11NO3S2
SMILES
C[C@H](C(=O)N[C@@H](CS)C(=O)O)S
InChI
InChI=1S/C6H11NO3S2/c1-3(12)5(8)7-4(2-11)6(9)10/h3-4,11-12H,2H2,1H3,(H,7,8)(H,9,10)/t3-,4+/m1/s1
InChIKey
ODOSCUPDIXDNHR-DMTCNVIQSA-N
Compound name
(2R)-3-sulfanyl-2-[[(2R)-2-sulfanylpropanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

209.01804 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02532 144.7
[M+Na]+ 232.00726 149.9
[M+NH4]+ 227.05186 150.7
[M+K]+ 247.98120 144.7
[M-H]- 208.01076 142.3
[M+Na-2H]- 229.99271 144.1
[M]+ 209.01749 145.1
[M]- 209.01859 145.1
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