CID 49867129

(4s)-4-{[(2s)-2-amino-3-oxopropyl]sulfanyl}-l-homoserinate

Structural Information

Molecular Formula
C7H14N2O5S
SMILES
C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C7H14N2O5S/c8-3(6(11)12)1-5(10)15-2-4(9)7(13)14/h3-5,10H,1-2,8-9H2,(H,11,12)(H,13,14)/t3-,4-,5+/m0/s1
InChIKey
ZGWOKDWPXPPFGS-VAYJURFESA-N
Compound name
(2S,4R)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanyl-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.06235 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06963 152.1
[M+Na]+ 261.05157 154.0
[M-H]- 237.05507 146.3
[M+NH4]+ 256.09617 165.7
[M+K]+ 277.02551 152.7
[M+H-H2O]+ 221.05961 145.7
[M+HCOO]- 283.06055 162.3
[M+CH3COO]- 297.07620 189.1
[M+Na-2H]- 259.03702 146.9
[M]+ 238.06180 148.7
[M]- 238.06290 148.7
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

No patent data available for this compound.