CID 121624

Indan-5-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C1CC2=C(C1)C=C(C=C2)C=O

InChI

InChI=1S/C10H10O/c11-7-8-4-5-9-2-1-3-10(9)6-8/h4-7H,1-3H2

InChIKey

YNGGRNROMJXLCP-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-indene-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 437
Patents: 146.07317 Da
Monoisotopic Mass: 2.2
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]+	147.08045	129.1
[M+Na]+	169.06239	141.9
[M+NH4]+	164.10699	139.4
[M+K]+	185.03633	136.1
[M-H]-	145.06589	131.9
[M+Na-2H]-	167.04784	135.6
[M]+	146.07262	131.7
[M]-	146.07372	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe