CID 46937961

Ser-cys

Structural Information

Molecular Formula
C6H12N2O4S
SMILES
C([C@@H](C(=O)N[C@@H](CS)C(=O)O)N)O
InChI
InChI=1S/C6H12N2O4S/c7-3(1-9)5(10)8-4(2-13)6(11)12/h3-4,9,13H,1-2,7H2,(H,8,10)(H,11,12)/t3-,4-/m0/s1
InChIKey
FFOKMZOAVHEWET-IMJSIDKUSA-N
Compound name
(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3022
Patents

208.05177 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05905 145.1
[M+Na]+ 231.04099 148.6
[M+NH4]+ 226.08559 149.3
[M+K]+ 247.01493 146.7
[M-H]- 207.04449 141.4
[M+Na-2H]- 229.02644 143.6
[M]+ 208.05122 144.1
[M]- 208.05232 144.1
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