CID 524423

3-cyclohexyldodecane

Structural Information

Molecular Formula

C₁₈H₃₆

SMILES

CCCCCCCCCC(CC)C1CCCCC1

InChI

InChI=1S/C18H36/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h17-18H,3-16H2,1-2H3

InChIKey

ZDMYCNLANBQLOI-UHFFFAOYSA-N

Compound name

dodecan-3-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 252.28171 Da
Monoisotopic Mass: 9.2
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]+	253.28899	171.3
[M+Na]+	275.27093	171.5
[M-H]-	251.27443	172.1
[M+NH4]+	270.31553	188.1
[M+K]+	291.24487	168.5
[M+H-H2O]+	235.27897	164.2
[M+HCOO]-	297.27991	187.4
[M+CH3COO]-	311.29556	200.6
[M+Na-2H]-	273.25638	170.2
[M]+	252.28116	169.5
[M]-	252.28226	169.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe