CID 3084195

N-acetyl-s-propyl-l-cysteine

Structural Information

Molecular Formula
C8H15NO3S
SMILES
CCCSC[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C8H15NO3S/c1-3-4-13-5-7(8(11)12)9-6(2)10/h7H,3-5H2,1-2H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey
PSOKBYBSKZWNMI-ZETCQYMHSA-N
Compound name
(2R)-2-acetamido-3-propylsulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

10
Patents

205.07727 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08455 147.3
[M+Na]+ 228.06649 153.4
[M+NH4]+ 223.11109 153.0
[M+K]+ 244.04043 148.6
[M-H]- 204.06999 144.8
[M+Na-2H]- 226.05194 147.3
[M]+ 205.07672 147.3
[M]- 205.07782 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe