CID 3057647

L-valine, n-(((diethoxyphosphinyl)thio)acetyl)-

Structural Information

Molecular Formula
C11H22NO6PS
SMILES
CCOP(=O)(OCC)SCC(=O)N[C@@H](C(C)C)C(=O)O
InChI
InChI=1S/C11H22NO6PS/c1-5-17-19(16,18-6-2)20-7-9(13)12-10(8(3)4)11(14)15/h8,10H,5-7H2,1-4H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
WKYUDFRULLRVTE-JTQLQIEISA-N
Compound name
(2S)-2-[(2-diethoxyphosphorylsulfanylacetyl)amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.09055 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09783 173.8
[M+Na]+ 350.07977 176.4
[M+NH4]+ 345.12437 176.1
[M+K]+ 366.05371 174.8
[M-H]- 326.08327 168.0
[M+Na-2H]- 348.06522 170.7
[M]+ 327.09000 172.1
[M]- 327.09110 172.1
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

No patent data available for this compound.