CID 89270

1,4-cyclohexanedicarboxamide

Structural Information

Molecular Formula

C₈H₁₄N₂O₂

SMILES

C1CC(CCC1C(=O)N)C(=O)N

InChI

InChI=1S/C8H14N2O2/c9-7(11)5-1-2-6(4-3-5)8(10)12/h5-6H,1-4H2,(H2,9,11)(H2,10,12)

InChIKey

ZWUNKULTLYLLTH-UHFFFAOYSA-N

Compound name

cyclohexane-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 440
Patents: 170.10553 Da
Monoisotopic Mass: -0.8
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]+	171.11281	137.6
[M+Na]+	193.09475	144.6
[M+NH4]+	188.13935	144.4
[M+K]+	209.06869	141.3
[M-H]-	169.09825	138.6
[M+Na-2H]-	191.08020	140.1
[M]+	170.10498	138.2
[M]-	170.10608	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe