CID 146416

Ethiin

Structural Information

Molecular Formula
C5H11NO3S
SMILES
CCS(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C5H11NO3S/c1-2-10(9)3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
InChIKey
CSZTZFUEOCFFJH-YGVKFDHGSA-N
Compound name
(2R)-2-amino-3-ethylsulfinylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

78
Patents

165.04596 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.05324 134.0
[M+Na]+ 188.03518 139.7
[M-H]- 164.03868 132.4
[M+NH4]+ 183.07978 153.3
[M+K]+ 204.00912 138.6
[M+H-H2O]+ 148.04322 128.7
[M+HCOO]- 210.04416 149.2
[M+CH3COO]- 224.05981 176.4
[M+Na-2H]- 186.02063 133.2
[M]+ 165.04541 134.0
[M]- 165.04651 134.0
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.