CID 5352006

Tuberin

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

COC1=CC=C(C=C1)/C=C/NC=O

InChI

InChI=1S/C10H11NO2/c1-13-10-4-2-9(3-5-10)6-7-11-8-12/h2-8H,1H3,(H,11,12)/b7-6+

InChIKey

SZCZSKMCTGEJKI-VOTSOKGWSA-N

Compound name

N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1943
References: 2541
Patents: 177.07898 Da
Monoisotopic Mass: 1.9
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]+	178.08626	137.7
[M+Na]+	200.06820	149.8
[M+NH4]+	195.11280	145.6
[M+K]+	216.04214	142.8
[M-H]-	176.07170	139.9
[M+Na-2H]-	198.05365	144.5
[M]+	177.07843	139.8
[M]-	177.07953	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe