CID 276892

7-cyclohexyltridecane

Structural Information

Molecular Formula

C₁₉H₃₈

SMILES

CCCCCCC(CCCCCC)C1CCCCC1

InChI

InChI=1S/C19H38/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h18-19H,3-17H2,1-2H3

InChIKey

UVRPAYBHYYNXMX-UHFFFAOYSA-N

Compound name

tridecan-7-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.29736 Da
Monoisotopic Mass: 9.7
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]+	267.304636	175.8
[M+Na]+	289.286578	175.5
[M-H]-	265.290084	176.4
[M+NH4]+	284.331183	192.0
[M+K]+	305.260518	172.3
[M+H-H2O]+	249.294620	168.5
[M+HCOO]-	311.295561	191.6
[M+CH3COO]-	325.311211	203.6
[M+Na-2H]-	287.272026	174.2
[M]+	266.29681142	174.3
[M]-	266.29790858	174.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.