CID 5950212

127910-31-0

Structural Information

Molecular Formula

C₆H₁₂NO₅P

SMILES

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

InChI

InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+

InChIKey

BDYHNCZIGYIOGJ-DUXPYHPUSA-N

Compound name

(E)-2-amino-4-methyl-5-phosphonopent-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 178
References: 592
Patents: 209.0453 Da
Monoisotopic Mass: -4.1
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]+	210.05258	147.0
[M+Na]+	232.03452	151.8
[M-H]-	208.03802	141.4
[M+NH4]+	227.07912	163.2
[M+K]+	248.00846	150.9
[M+H-H2O]+	192.04256	140.3
[M+HCOO]-	254.04350	168.8
[M+CH3COO]-	268.05915	180.7
[M+Na-2H]-	230.01997	145.2
[M]+	209.04475	144.6
[M]-	209.04585	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe