CID 582158

Decyl cyclohexanecarboxylate

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CCCCCCCCCCOC(=O)C1CCCCC1

InChI

InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-12-15-19-17(18)16-13-10-9-11-14-16/h16H,2-15H2,1H3

InChIKey

MOZHOBFQUILDKL-UHFFFAOYSA-N

Compound name

decyl cyclohexanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 268.24023 Da
Monoisotopic Mass: 6.7
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]+	269.247506	171.9
[M+Na]+	291.229448	172.8
[M-H]-	267.232954	172.9
[M+NH4]+	286.274053	188.0
[M+K]+	307.203388	170.5
[M+H-H2O]+	251.237490	164.7
[M+HCOO]-	313.238431	189.0
[M+CH3COO]-	327.254081	199.9
[M+Na-2H]-	289.214896	171.5
[M]+	268.23968142	171.9
[M]-	268.24077858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe