CID 88082028

Thr-cys

Structural Information

Molecular Formula
C7H14N2O4S
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)O)N)O
InChI
InChI=1S/C7H14N2O4S/c1-3(10)5(8)6(11)9-4(2-14)7(12)13/h3-5,10,14H,2,8H2,1H3,(H,9,11)(H,12,13)/t3-,4+,5+/m1/s1
InChIKey
CUTPSEKWUPZFLV-WISUUJSJSA-N
Compound name
(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2742
Patents

222.06743 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07471 149.4
[M+Na]+ 245.05665 152.3
[M+NH4]+ 240.10125 153.3
[M+K]+ 261.03059 151.0
[M-H]- 221.06015 145.4
[M+Na-2H]- 243.04210 147.4
[M]+ 222.06688 148.3
[M]- 222.06798 148.3
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