CID 12480411

Super cinnamaldehyde

Structural Information

Molecular Formula

C₁₂H₁₁NO₂

SMILES

CC(=O)/C=C/1\C2=CC=CC=C2N(C1=O)C

InChI

InChI=1S/C12H11NO2/c1-8(14)7-10-9-5-3-4-6-11(9)13(2)12(10)15/h3-7H,1-2H3/b10-7+

InChIKey

CZKBLHCEDVWPRN-JXMROGBWSA-N

Compound name

(3E)-1-methyl-3-(2-oxopropylidene)indol-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1593
References: 36
Patents: 201.07898 Da
Monoisotopic Mass: 0.9
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]+	202.08626	142.2
[M+Na]+	224.06820	152.1
[M-H]-	200.07170	146.0
[M+NH4]+	219.11280	163.4
[M+K]+	240.04214	148.7
[M+H-H2O]+	184.07624	136.5
[M+HCOO]-	246.07718	163.8
[M+CH3COO]-	260.09283	185.8
[M+Na-2H]-	222.05365	145.3
[M]+	201.07843	143.1
[M]-	201.07953	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe