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

13
Patents

121.01975 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.027026 122.4
[M+Na]+ 144.008968 129.1
[M-H]- 120.012474 121.2
[M+NH4]+ 139.053573 143.8
[M+K]+ 159.982908 128.2
[M+H-H2O]+ 104.017010 117.7
[M+HCOO]- 166.017951 138.9
[M+CH3COO]- 180.033601 168.2
[M+Na-2H]- 141.994416 123.7
[M]+ 121.01920142 121.6
[M]- 121.02029858 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