CID 14061808

L-appa

Structural Information

Molecular Formula
C5H10NO5P
SMILES
C(/C=C\[C@@H](C(=O)O)N)P(=O)(O)O
InChI
InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h1-2,4H,3,6H2,(H,7,8)(H2,9,10,11)/b2-1-/t4-/m0/s1
InChIKey
TUMOUMLCWZEIRK-XDSMRRFISA-N
Compound name
(Z,2S)-2-amino-5-phosphonopent-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4
Patents

195.02966 Da
Monoisotopic Mass

-4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.03694 142.4
[M+Na]+ 218.01888 147.9
[M-H]- 194.02238 136.9
[M+NH4]+ 213.06348 159.3
[M+K]+ 233.99282 146.6
[M+H-H2O]+ 178.02692 135.8
[M+HCOO]- 240.02786 165.5
[M+CH3COO]- 254.04351 176.7
[M+Na-2H]- 216.00433 142.4
[M]+ 195.02911 140.3
[M]- 195.03021 140.3
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