CID 168007552

N-acetyl-s-hydroxy-l-cysteine

Structural Information

Molecular Formula
C5H9NO4S
SMILES
CC(=O)N[C@@H](CSO)C(=O)O
InChI
InChI=1S/C5H9NO4S/c1-3(7)6-4(2-11-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
InChIKey
UDRNLIPAONYIBJ-BYPYZUCNSA-N
Compound name
(2R)-2-acetamido-3-hydroxysulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02522 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.032496 136.6
[M+Na]+ 202.014438 141.7
[M-H]- 178.017944 134.0
[M+NH4]+ 197.059043 154.8
[M+K]+ 217.988378 140.6
[M+H-H2O]+ 162.022480 131.3
[M+HCOO]- 224.023421 151.2
[M+CH3COO]- 238.039071 176.0
[M+Na-2H]- 199.999886 136.6
[M]+ 179.02467142 137.1
[M]- 179.02576858 137.1
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

No patent data available for this compound.