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]+ 285.05562 161.0
[M+Na]+ 307.03756 166.5
[M-H]- 283.04106 159.9
[M+NH4]+ 302.08216 177.7
[M+K]+ 323.01150 166.7
[M+H-H2O]+ 267.04560 152.9
[M+HCOO]- 329.04654 182.5
[M+CH3COO]- 343.06219 196.8
[M+Na-2H]- 305.02301 159.5
[M]+ 284.04779 171.5
[M]- 284.04889 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.