CID 153279532

4ch3op

Structural Information

Molecular Formula

C₁₉H₃₀O

SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)OCCC

InChI

InChI=1S/C19H30O/c1-3-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-15-4-2/h11-14,16-17H,3-10,15H2,1-2H3

InChIKey

PPNWWXMQDCANIA-UHFFFAOYSA-N

Compound name

1-(4-butylcyclohexyl)-4-propoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 274.22968 Da
Monoisotopic Mass: 7.2
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]+	275.236956	170.0
[M+Na]+	297.218898	173.2
[M-H]-	273.222404	175.0
[M+NH4]+	292.263503	186.1
[M+K]+	313.192838	169.3
[M+H-H2O]+	257.226940	162.0
[M+HCOO]-	319.227881	188.6
[M+CH3COO]-	333.243531	202.4
[M+Na-2H]-	295.204346	170.9
[M]+	274.22913142	168.7
[M]-	274.23022858	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe