CID 480013

Schembl10680756

Structural Information

Molecular Formula
C7H15NO2S
SMILES
CCOC(=O)[C@H](CSCC)N
InChI
InChI=1S/C7H15NO2S/c1-3-10-7(9)6(8)5-11-4-2/h6H,3-5,8H2,1-2H3/t6-/m0/s1
InChIKey
WRKSDJUJSIROCR-LURJTMIESA-N
Compound name
ethyl (2R)-2-amino-3-ethylsulfanylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

177.08235 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08963 140.0
[M+Na]+ 200.07157 145.6
[M-H]- 176.07507 139.7
[M+NH4]+ 195.11617 160.0
[M+K]+ 216.04551 144.7
[M+H-H2O]+ 160.07961 134.4
[M+HCOO]- 222.08055 156.9
[M+CH3COO]- 236.09620 182.2
[M+Na-2H]- 198.05702 139.9
[M]+ 177.08180 142.6
[M]- 177.08290 142.6
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.