CID 21351044

3chcaameoch

Structural Information

Molecular Formula

C₁₇H₃₀O₃

SMILES

CCCC1CCC(CC1)C(=O)OC2CCC(CC2)OC

InChI

InChI=1S/C17H30O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h13-16H,3-12H2,1-2H3

InChIKey

DTRYBYIAXOIPNY-UHFFFAOYSA-N

Compound name

(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 282.21948 Da
Monoisotopic Mass: 4.7
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]+	283.226756	171.2
[M+Na]+	305.208698	172.0
[M-H]-	281.212204	175.5
[M+NH4]+	300.253303	186.5
[M+K]+	321.182638	170.3
[M+H-H2O]+	265.216740	163.5
[M+HCOO]-	327.217681	185.6
[M+CH3COO]-	341.233331	201.0
[M+Na-2H]-	303.194146	169.0
[M]+	282.21893142	166.4
[M]-	282.22002858	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe