CID 40066

2h-chromene-3-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C1C(=CC2=CC=CC=C2O1)C=O

InChI

InChI=1S/C10H8O2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-6H,7H2

InChIKey

RISKINCQRSLFRK-UHFFFAOYSA-N

Compound name

2H-chromene-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 297
Patents: 160.05243 Da
Monoisotopic Mass: 1.4
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]+	161.05971	128.3
[M+Na]+	183.04165	137.0
[M-H]-	159.04515	133.7
[M+NH4]+	178.08625	149.0
[M+K]+	199.01559	135.8
[M+H-H2O]+	143.04969	122.6
[M+HCOO]-	205.05063	150.8
[M+CH3COO]-	219.06628	176.4
[M+Na-2H]-	181.02710	138.6
[M]+	160.05188	129.1
[M]-	160.05298	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe