CID 40997

Undecylcyclohexane

Structural Information

Molecular Formula

C₁₇H₃₄

SMILES

CCCCCCCCCCCC1CCCCC1

InChI

InChI=1S/C17H34/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h17H,2-16H2,1H3

InChIKey

XQQVOBPJWHQXEN-UHFFFAOYSA-N

Compound name

undecylcyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 213
Patents: 238.26605 Da
Monoisotopic Mass: 8.9
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]+	239.27333	166.1
[M+Na]+	261.25527	166.9
[M-H]-	237.25877	167.0
[M+NH4]+	256.29987	183.6
[M+K]+	277.22921	163.8
[M+H-H2O]+	221.26331	159.0
[M+HCOO]-	283.26425	183.6
[M+CH3COO]-	297.27990	196.9
[M+Na-2H]-	259.24072	166.9
[M]+	238.26550	164.6
[M]-	238.26660	164.6

Literature stripe

literature stripe

Patent stripe

patents stripe