CID 106715

67589-38-2

Structural Information

Molecular Formula

C₁₇H₂₄O₃

SMILES

CCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)OC

InChI

InChI=1S/C17H24O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h9-14H,3-8H2,1-2H3

InChIKey

YOMOGIXKVWWEHG-UHFFFAOYSA-N

Compound name

(4-methoxyphenyl) 4-propylcyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 276.17255 Da
Monoisotopic Mass: 5.1
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]+	277.17983	166.6
[M+Na]+	299.16177	178.3
[M+NH4]+	294.20637	174.5
[M+K]+	315.13571	171.1
[M-H]-	275.16527	170.2
[M+Na-2H]-	297.14722	172.6
[M]+	276.17200	169.2
[M]-	276.17310	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe