CID 57288739

933694-70-3

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

C1COCC2=C1C=C(C=C2)C=O

InChI

InChI=1S/C10H10O2/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-2,5-6H,3-4,7H2

InChIKey

USZXFOAGCYIPAQ-UHFFFAOYSA-N

Compound name

3,4-dihydro-1H-isochromene-6-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 162.06808 Da
Monoisotopic Mass: 1.1
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]+	163.07536	131.2
[M+Na]+	185.05730	145.1
[M+NH4]+	180.10190	141.1
[M+K]+	201.03124	138.1
[M-H]-	161.06080	135.6
[M+Na-2H]-	183.04275	137.9
[M]+	162.06753	134.5
[M]-	162.06863	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe