CID 5474873

57687-94-2

Structural Information

Molecular Formula

SMILES

CN(C)C(=O)/C=C/C(=O)O

InChI

InChI=1S/C6H9NO3/c1-7(2)5(8)3-4-6(9)10/h3-4H,1-2H3,(H,9,10)/b4-3+

InChIKey

UWVCKXVPDINNHW-ONEGZZNKSA-N

Compound name

(E)-4-(dimethylamino)-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 143.05824 Da
Monoisotopic Mass: -0.5
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]+	144.06552	130.1
[M+Na]+	166.04746	138.1
[M+NH4]+	161.09206	136.1
[M+K]+	182.02140	135.3
[M-H]-	142.05096	128.0
[M+Na-2H]-	164.03291	132.0
[M]+	143.05769	130.1
[M]-	143.05879	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe