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]+ 260.04098 159.0
[M+Na]+ 282.02292 164.6
[M-H]- 258.02642 162.1
[M+NH4]+ 277.06752 177.4
[M+K]+ 297.99686 161.9
[M+H-H2O]+ 242.03096 152.7
[M+HCOO]- 304.03190 171.5
[M+CH3COO]- 318.04755 193.2
[M+Na-2H]- 280.00837 156.5
[M]+ 259.03315 163.1
[M]- 259.03425 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.