CID 81773052

Potassium 2-(dimethylamino)pent-4-enoate

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CN(C)C(CC=C)C(=O)O

InChI

InChI=1S/C7H13NO2/c1-4-5-6(7(9)10)8(2)3/h4,6H,1,5H2,2-3H3,(H,9,10)

InChIKey

BBNCGVJMVZHEFU-UHFFFAOYSA-N

Compound name

2-(dimethylamino)pent-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 380
Patents: 143.09464 Da
Monoisotopic Mass: -1.3
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]+	144.10192	132.2
[M+Na]+	166.08386	140.3
[M+NH4]+	161.12846	138.8
[M+K]+	182.05780	136.9
[M-H]-	142.08736	130.8
[M+Na-2H]-	164.06931	134.4
[M]+	143.09409	132.5
[M]-	143.09519	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe