CID 23451420

85665-86-7

Structural Information

Molecular Formula

C₁₆H₂₈

SMILES

CC1C2CC(C(C2)C1(C)C)C3CCCCC3

InChI

InChI=1S/C16H28/c1-11-13-9-14(12-7-5-4-6-8-12)15(10-13)16(11,2)3/h11-15H,4-10H2,1-3H3

InChIKey

CMDLWMRZWLVTBQ-UHFFFAOYSA-N

Compound name

6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 220.2191 Da
Monoisotopic Mass: 6.4
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]+	221.22638	158.1
[M+Na]+	243.20832	163.1
[M-H]-	219.21182	163.2
[M+NH4]+	238.25292	183.8
[M+K]+	259.18226	159.2
[M+H-H2O]+	203.21636	153.2
[M+HCOO]-	265.21730	174.1
[M+CH3COO]-	279.23295	169.6
[M+Na-2H]-	241.19377	156.5
[M]+	220.21855	152.7
[M]-	220.21965	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe