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

13
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 146.8
[M+Na]+ 228.06649 151.3
[M-H]- 204.06999 145.2
[M+NH4]+ 223.11109 164.8
[M+K]+ 244.04043 149.9
[M+H-H2O]+ 188.07453 141.0
[M+HCOO]- 250.07547 161.7
[M+CH3COO]- 264.09112 185.3
[M+Na-2H]- 226.05194 145.7
[M]+ 205.07672 148.9
[M]- 205.07782 148.9
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