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 182.4
[M+Na]+ 378.11108 184.6
[M-H]- 354.11458 180.4
[M+NH4]+ 373.15568 203.2
[M+K]+ 394.08502 185.0
[M+H-H2O]+ 338.11912 173.3
[M+HCOO]- 400.12006 204.5
[M+CH3COO]- 414.13571 215.3
[M+Na-2H]- 376.09653 177.6
[M]+ 355.12131 192.1
[M]- 355.12241 192.1
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.