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 173.7
[M+Na]+ 350.07977 176.1
[M-H]- 326.08327 170.5
[M+NH4]+ 345.12437 191.2
[M+K]+ 366.05371 176.1
[M+H-H2O]+ 310.08781 165.1
[M+HCOO]- 372.08875 191.7
[M+CH3COO]- 386.10440 207.7
[M+Na-2H]- 348.06522 169.2
[M]+ 327.09000 180.7
[M]- 327.09110 180.7
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.