CID 14925272

Acenaphthylene-1-carbaldehyde

Structural Information

Molecular Formula

C₁₃H₈O

SMILES

C1=CC2=C3C(=C1)C=C(C3=CC=C2)C=O

InChI

InChI=1S/C13H8O/c14-8-11-7-10-5-1-3-9-4-2-6-12(11)13(9)10/h1-8H

InChIKey

DJGQYTUXTCURSC-UHFFFAOYSA-N

Compound name

acenaphthylene-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 180.05751 Da
Monoisotopic Mass: 2.8
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]+	181.064786	135.4
[M+Na]+	203.046728	146.1
[M-H]-	179.050234	141.0
[M+NH4]+	198.091333	160.0
[M+K]+	219.020668	141.8
[M+H-H2O]+	163.054770	130.1
[M+HCOO]-	225.055711	159.8
[M+CH3COO]-	239.071361	150.5
[M+Na-2H]-	201.032176	144.1
[M]+	180.05696142	138.4
[M]-	180.05805858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe