CID 62343925

4-[ethyl(methyl)amino]but-2-enoic acid hydrochloride

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CCN(C)C/C=C/C(=O)O

InChI

InChI=1S/C7H13NO2/c1-3-8(2)6-4-5-7(9)10/h4-5H,3,6H2,1-2H3,(H,9,10)/b5-4+

InChIKey

PJSVSBSQPJIHNV-SNAWJCMRSA-N

Compound name

(E)-4-[ethyl(methyl)amino]but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 143.09464 Da
Monoisotopic Mass: -1.8
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	132.0
[M+Na]+	166.08386	140.6
[M+NH4]+	161.12846	138.8
[M+K]+	182.05780	136.3
[M-H]-	142.08736	130.9
[M+Na-2H]-	164.06931	134.7
[M]+	143.09409	132.5
[M]-	143.09519	132.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe