CID 1490288

4-ethylcyclohexanecarboxylic acid

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

CCC1CCC(CC1)C(=O)O

InChI

InChI=1S/C9H16O2/c1-2-7-3-5-8(6-4-7)9(10)11/h7-8H,2-6H2,1H3,(H,10,11)

InChIKey

UNROFSAOTBVBBT-UHFFFAOYSA-N

Compound name

4-ethylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 490
Patents: 156.11504 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]+	157.12232	135.0
[M+Na]+	179.10426	139.8
[M-H]-	155.10776	136.5
[M+NH4]+	174.14886	155.2
[M+K]+	195.07820	138.6
[M+H-H2O]+	139.11230	129.9
[M+HCOO]-	201.11324	153.3
[M+CH3COO]-	215.12889	174.9
[M+Na-2H]-	177.08971	137.8
[M]+	156.11449	130.6
[M]-	156.11559	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe