CID 6437919

Shell sd-7297

Structural Information

Molecular Formula
C9H16NO7P
SMILES
COC(=O)CNC(=O)/C=C/COP(=O)(OC)OC
InChI
InChI=1S/C9H16NO7P/c1-14-9(12)7-10-8(11)5-4-6-17-18(13,15-2)16-3/h4-5H,6-7H2,1-3H3,(H,10,11)/b5-4+
InChIKey
XKTMBVRBXFKSHO-SNAWJCMRSA-N
Compound name
methyl 2-[[(E)-4-dimethoxyphosphoryloxybut-2-enoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.06644 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07372 161.0
[M+Na]+ 304.05566 165.7
[M+NH4]+ 299.10026 179.1
[M+K]+ 320.02960 164.9
[M-H]- 280.05916 155.4
[M+Na-2H]- 302.04111 159.6
[M]+ 281.06589 159.2
[M]- 281.06699 159.2
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.