CID 54371

77890-13-2

Structural Information

Molecular Formula
C9H18NO5PS
SMILES
CCOC(=O)CNC(=O)CSP(=O)(C)OCC
InChI
InChI=1S/C9H18NO5PS/c1-4-14-9(12)6-10-8(11)7-17-16(3,13)15-5-2/h4-7H2,1-3H3,(H,10,11)
InChIKey
KTRXCPPABSNJBO-UHFFFAOYSA-N
Compound name
ethyl 2-[[2-[ethoxy(methyl)phosphoryl]sulfanylacetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.06433 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.07161 163.8
[M+Na]+ 306.05355 168.6
[M+NH4]+ 301.09815 167.6
[M+K]+ 322.02749 164.8
[M-H]- 282.05705 159.7
[M+Na-2H]- 304.03900 162.7
[M]+ 283.06378 163.1
[M]- 283.06488 163.1
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.