CID 793726

65355-32-0

Structural Information

Molecular Formula

C₁₆H₂₈O₂

SMILES

CCCC1CCC(CC1)C2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H28O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h12-15H,2-11H2,1H3,(H,17,18)

InChIKey

JXPGQFKJNKWDKP-UHFFFAOYSA-N

Compound name

4-(4-propylcyclohexyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 292
Patents: 252.20892 Da
Monoisotopic Mass: 5.7
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]+	253.216196	164.0
[M+Na]+	275.198138	164.9
[M-H]-	251.201644	167.1
[M+NH4]+	270.242743	179.9
[M+K]+	291.172078	161.9
[M+H-H2O]+	235.206180	157.1
[M+HCOO]-	297.207121	177.1
[M+CH3COO]-	311.222771	194.1
[M+Na-2H]-	273.183586	161.9
[M]+	252.20837142	155.6
[M]-	252.20946858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe