CID 6434776

Shell sd-6830

Structural Information

Molecular Formula
C10H18NO7P
SMILES
CCOC(=O)CNC(=O)/C=C(/C)\OP(=O)(OC)OC
InChI
InChI=1S/C10H18NO7P/c1-5-17-10(13)7-11-9(12)6-8(2)18-19(14,15-3)16-4/h6H,5,7H2,1-4H3,(H,11,12)/b8-6-
InChIKey
IZJUFCIOLRKNNM-VURMDHGXSA-N
Compound name
ethyl 2-[[(Z)-3-dimethoxyphosphoryloxybut-2-enoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0821 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08938 164.8
[M+Na]+ 318.07132 168.9
[M+NH4]+ 313.11592 183.3
[M+K]+ 334.04526 168.7
[M-H]- 294.07482 159.0
[M+Na-2H]- 316.05677 162.8
[M]+ 295.08155 162.8
[M]- 295.08265 162.8
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.