CID 6372334

Dtxsid401211432

Structural Information

Molecular Formula
C8H16NO5P
SMILES
CCOC(=O)C(/C=C(\C)/CP(=O)(O)O)N
InChI
InChI=1S/C8H16NO5P/c1-3-14-8(10)7(9)4-6(2)5-15(11,12)13/h4,7H,3,5,9H2,1-2H3,(H2,11,12,13)/b6-4+
InChIKey
OKDOWCKDTWNRCB-GQCTYLIASA-N
Compound name
[(E)-4-amino-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

270
Patents

237.07661 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08389 155.5
[M+Na]+ 260.06583 160.0
[M-H]- 236.06933 151.1
[M+NH4]+ 255.11043 171.5
[M+K]+ 276.03977 159.6
[M+H-H2O]+ 220.07387 148.4
[M+HCOO]- 282.07481 178.3
[M+CH3COO]- 296.09046 188.4
[M+Na-2H]- 258.05128 153.4
[M]+ 237.07606 155.8
[M]- 237.07716 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe