CID 55290163

Schembl4955452

Structural Information

Molecular Formula
C3H7NO2S
SMILES
CSC(C(=O)O)N
InChI
InChI=1S/C3H7NO2S/c1-7-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
InChIKey
WNEPZAHNTNNRAX-UHFFFAOYSA-N
Compound name
2-amino-2-methylsulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

121.01975 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.02703 122.9
[M+Na]+ 144.00897 130.5
[M+NH4]+ 139.05357 130.3
[M+K]+ 159.98291 125.9
[M-H]- 120.01247 121.6
[M+Na-2H]- 141.99442 124.6
[M]+ 121.01920 123.6
[M]- 121.02030 123.6
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.