CID 522597

Thioglycine

Structural Information

Molecular Formula
C2H5NOS
SMILES
C(C(=O)S)N
InChI
InChI=1S/C2H5NOS/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKey
CYFJIBWZIQDUSZ-UHFFFAOYSA-N
Compound name
2-aminoethanethioic S-acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

483
Patents

91.009186 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.016462 113.7
[M+Na]+ 113.998404 121.7
[M-H]- 90.001910 114.2
[M+NH4]+ 109.043009 137.2
[M+K]+ 129.972344 121.1
[M+H-H2O]+ 74.006446 109.2
[M+HCOO]- 136.007387 132.8
[M+CH3COO]- 150.023037 164.9
[M+Na-2H]- 111.983852 117.1
[M]+ 91.00863742 113.7
[M]- 91.00973458 113.7
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