CID 6437837

132472-31-2

Structural Information

Molecular Formula

C₈H₁₆NO₅P

SMILES

CCC/C(=C\C(C(=O)O)N)/CP(=O)(O)O

InChI

InChI=1S/C8H16NO5P/c1-2-3-6(5-15(12,13)14)4-7(9)8(10)11/h4,7H,2-3,5,9H2,1H3,(H,10,11)(H2,12,13,14)/b6-4+

InChIKey

ZEFQYTSQDVUMEU-GQCTYLIASA-N

Compound name

(E)-2-amino-4-(phosphonomethyl)hept-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 92
References: 133
Patents: 237.07661 Da
Monoisotopic Mass: -3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	238.08389	154.6
[M+Na]+	260.06583	158.1
[M+NH4]+	255.11043	156.9
[M+K]+	276.03977	158.3
[M-H]-	236.06933	148.3
[M+Na-2H]-	258.05128	151.6
[M]+	237.07606	152.3
[M]-	237.07716	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe