CID 168135

23701-49-7

Structural Information

Molecular Formula
C13H26NO6PS
SMILES
CCOC(=O)[C@H](C(C)C)NC(=O)CSP(=O)(OCC)OCC
InChI
InChI=1S/C13H26NO6PS/c1-6-18-13(16)12(10(4)5)14-11(15)9-22-21(17,19-7-2)20-8-3/h10,12H,6-9H2,1-5H3,(H,14,15)/t12-/m0/s1
InChIKey
XRTYAJJFXDKTML-LBPRGKRZSA-N
Compound name
ethyl (2S)-2-[(2-diethoxyphosphorylsulfanylacetyl)amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.12186 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12914 181.8
[M+Na]+ 378.11108 184.5
[M+NH4]+ 373.15568 206.8
[M+K]+ 394.08502 182.2
[M-H]- 354.11458 176.5
[M+Na-2H]- 376.09653 178.9
[M]+ 355.12131 180.3
[M]- 355.12241 180.3
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

No patent data available for this compound.