CID 20574757

Cys-thr

Structural Information

Molecular Formula
C7H14N2O4S
SMILES
CC(C(C(=O)O)NC(=O)C(CS)N)O
InChI
InChI=1S/C7H14N2O4S/c1-3(10)5(7(12)13)9-6(11)4(8)2-14/h3-5,10,14H,2,8H2,1H3,(H,9,11)(H,12,13)
InChIKey
WYVKPHCYMTWUCW-UHFFFAOYSA-N
Compound name
2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe