CID 82662

10484-23-8

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

C1CCC2=C(C1)C=CC=C2CC=O

InChI

InChI=1S/C12H14O/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h3,5-6,9H,1-2,4,7-8H2

InChIKey

CIHPERNEECLJMM-UHFFFAOYSA-N

Compound name

2-(5,6,7,8-tetrahydronaphthalen-1-yl)acetaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 174.10446 Da
Monoisotopic Mass: 2.7
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]+	175.111736	136.2
[M+Na]+	197.093678	143.0
[M-H]-	173.097184	140.2
[M+NH4]+	192.138283	157.5
[M+K]+	213.067618	139.9
[M+H-H2O]+	157.101720	130.3
[M+HCOO]-	219.102661	157.3
[M+CH3COO]-	233.118311	180.8
[M+Na-2H]-	195.079126	143.5
[M]+	174.10391142	134.2
[M]-	174.10500858	134.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe