CID 6433400

4195-96-4

Structural Information

Molecular Formula
C9H17O6PS
SMILES
CCOC(=O)CS/C=C(/C)\OP(=O)(OC)OC
InChI
InChI=1S/C9H17O6PS/c1-5-14-9(10)7-17-6-8(2)15-16(11,12-3)13-4/h6H,5,7H2,1-4H3/b8-6-
InChIKey
VSOYGMCILFCTOU-VURMDHGXSA-N
Compound name
ethyl 2-[(Z)-2-dimethoxyphosphoryloxyprop-1-enyl]sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.04834 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.055616 161.0
[M+Na]+ 307.037558 166.5
[M-H]- 283.041064 159.9
[M+NH4]+ 302.082163 177.7
[M+K]+ 323.011498 166.7
[M+H-H2O]+ 267.045600 152.9
[M+HCOO]- 329.046541 182.5
[M+CH3COO]- 343.062191 196.8
[M+Na-2H]- 305.023006 159.5
[M]+ 284.04779142 171.5
[M]- 284.04888858 171.5
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.