CID 3042860

L-cysteine, n-(2-thienylcarbonyl)-, ethyl ester

Structural Information

Molecular Formula
C10H13NO3S2
SMILES
CCOC(=O)[C@H](CS)NC(=O)C1=CC=CS1
InChI
InChI=1S/C10H13NO3S2/c1-2-14-10(13)7(6-15)11-9(12)8-4-3-5-16-8/h3-5,7,15H,2,6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKey
RWTOFNFMLZDLSX-ZETCQYMHSA-N
Compound name
ethyl (2R)-3-sulfanyl-2-(thiophene-2-carbonylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0337 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.040976 159.0
[M+Na]+ 282.022918 164.6
[M-H]- 258.026424 162.1
[M+NH4]+ 277.067523 177.4
[M+K]+ 297.996858 161.9
[M+H-H2O]+ 242.030960 152.7
[M+HCOO]- 304.031901 171.5
[M+CH3COO]- 318.047551 193.2
[M+Na-2H]- 280.008366 156.5
[M]+ 259.03315142 163.1
[M]- 259.03424858 163.1
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.