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]+ 180.03250 136.6
[M+Na]+ 202.01444 141.7
[M-H]- 178.01794 134.0
[M+NH4]+ 197.05904 154.8
[M+K]+ 217.98838 140.6
[M+H-H2O]+ 162.02248 131.3
[M+HCOO]- 224.02342 151.2
[M+CH3COO]- 238.03907 176.0
[M+Na-2H]- 199.99989 136.6
[M]+ 179.02467 137.1
[M]- 179.02577 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.