CID 10154096

1,4-cyclohexanedicarboxaldehyde

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CC(CCC1C=O)C=O

InChI

InChI=1S/C8H12O2/c9-5-7-1-2-8(6-10)4-3-7/h5-8H,1-4H2

InChIKey

QWKLKVRIQGSSKF-UHFFFAOYSA-N

Compound name

cyclohexane-1,4-dicarbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 805
Patents: 140.08372 Da
Monoisotopic Mass: 0.4
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]+	141.090996	127.8
[M+Na]+	163.072938	134.0
[M-H]-	139.076444	130.9
[M+NH4]+	158.117543	149.3
[M+K]+	179.046878	132.9
[M+H-H2O]+	123.080980	122.7
[M+HCOO]-	185.081921	149.2
[M+CH3COO]-	199.097571	172.8
[M+Na-2H]-	161.058386	133.0
[M]+	140.08317142	124.9
[M]-	140.08426858	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe