CID 10012148

2-diethylaminomethyl-acrylic acid

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CCN(CC)CC(=C)C(=O)O

InChI

InChI=1S/C8H15NO2/c1-4-9(5-2)6-7(3)8(10)11/h3-6H2,1-2H3,(H,10,11)

InChIKey

QVORBTXUFAMNBR-UHFFFAOYSA-N

Compound name

2-(diethylaminomethyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 156
Patents: 157.11028 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]+	158.11756	136.4
[M+Na]+	180.09950	141.8
[M-H]-	156.10300	136.5
[M+NH4]+	175.14410	156.9
[M+K]+	196.07344	142.1
[M+H-H2O]+	140.10754	131.3
[M+HCOO]-	202.10848	158.5
[M+CH3COO]-	216.12413	182.7
[M+Na-2H]-	178.08495	138.8
[M]+	157.10973	137.1
[M]-	157.11083	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe