CID 6444652

Bidrin amide

Structural Information

Molecular Formula

C₆H₁₂NO₅P

SMILES

C/C(=C\C(=O)N)/OP(=O)(OC)OC

InChI

InChI=1S/C6H12NO5P/c1-5(4-6(7)8)12-13(9,10-2)11-3/h4H,1-3H3,(H2,7,8)/b5-4+

InChIKey

KTDOBHIMCLAICL-SNAWJCMRSA-N

Compound name

[(E)-4-amino-4-oxobut-2-en-2-yl] dimethyl phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 209.0453 Da
Monoisotopic Mass: 0.2
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	143.6
[M+Na]+	232.03452	150.1
[M-H]-	208.03802	142.3
[M+NH4]+	227.07912	162.2
[M+K]+	248.00846	151.2
[M+H-H2O]+	192.04256	136.4
[M+HCOO]-	254.04350	171.1
[M+CH3COO]-	268.05915	187.0
[M+Na-2H]-	230.01997	145.0
[M]+	209.04475	147.9
[M]-	209.04585	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.