CID 5284506

4-(dimethylamino)cinnamaldehyde

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CN(C)C1=CC=C(C=C1)/C=C/C=O

InChI

InChI=1S/C11H13NO/c1-12(2)11-7-5-10(6-8-11)4-3-9-13/h3-9H,1-2H3/b4-3+

InChIKey

RUKJCCIJLIMGEP-ONEGZZNKSA-N

Compound name

(E)-3-[4-(dimethylamino)phenyl]prop-2-enal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 98
References: 2808
Patents: 175.09972 Da
Monoisotopic Mass: 2.3
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]+	176.106996	137.3
[M+Na]+	198.088938	144.8
[M-H]-	174.092444	142.4
[M+NH4]+	193.133543	158.1
[M+K]+	214.062878	143.1
[M+H-H2O]+	158.096980	131.1
[M+HCOO]-	220.097921	163.4
[M+CH3COO]-	234.113571	186.4
[M+Na-2H]-	196.074386	143.4
[M]+	175.09917142	138.8
[M]-	175.10026858	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe