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

11
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 122.4
[M+Na]+ 144.00897 129.1
[M-H]- 120.01247 121.2
[M+NH4]+ 139.05357 143.8
[M+K]+ 159.98291 128.2
[M+H-H2O]+ 104.01701 117.7
[M+HCOO]- 166.01795 138.9
[M+CH3COO]- 180.03360 168.2
[M+Na-2H]- 141.99442 123.7
[M]+ 121.01920 121.6
[M]- 121.02030 121.6
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

patents stripe