CID 71587967

Glyoxyloyl carbocysteine

Structural Information

Molecular Formula
C7H9NO6S
SMILES
C([C@@H](C(=O)O)NC(=O)C=O)SCC(=O)O
InChI
InChI=1S/C7H9NO6S/c9-1-5(10)8-4(7(13)14)2-15-3-6(11)12/h1,4H,2-3H2,(H,8,10)(H,11,12)(H,13,14)/t4-/m0/s1
InChIKey
GEPLANMDLRORQN-BYPYZUCNSA-N
Compound name
(2R)-3-(carboxymethylsulfanyl)-2-(oxaldehydoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

178
Patents

235.01506 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.02234 150.4
[M+Na]+ 258.00428 154.4
[M+NH4]+ 253.04888 153.4
[M+K]+ 273.97822 152.5
[M-H]- 234.00778 145.1
[M+Na-2H]- 255.98973 148.3
[M]+ 235.01451 149.0
[M]- 235.01561 149.0
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