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 143.3
[M+Na]+ 232.00726 147.6
[M-H]- 208.01076 141.5
[M+NH4]+ 227.05186 160.8
[M+K]+ 247.98120 145.4
[M+H-H2O]+ 192.01530 137.4
[M+HCOO]- 254.01624 151.5
[M+CH3COO]- 268.03189 185.1
[M+Na-2H]- 229.99271 140.4
[M]+ 209.01749 144.6
[M]- 209.01859 144.6
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