CID 22862263

Schembl1796053

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

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

InChI

InChI=1S/C11H13NO/c1-12(2)8-11(9-13)10-6-4-3-5-7-10/h3-9H,1-2H3/b11-8-

InChIKey

ABQPNXRKOONAJA-FLIBITNWSA-N

Compound name

(E)-3-(dimethylamino)-2-phenylprop-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 175.09972 Da
Monoisotopic Mass: 1.7
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]+	176.10700	139.4
[M+Na]+	198.08894	151.2
[M+NH4]+	193.13354	147.8
[M+K]+	214.06288	144.6
[M-H]-	174.09244	142.1
[M+Na-2H]-	196.07439	146.5
[M]+	175.09917	141.7
[M]-	175.10027	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe