CID 54396788

Octahydro-dimethylnaphthalene

Structural Information

Molecular Formula

C₁₂H₂₀

SMILES

CC1(CCCC2C1=CCCC2)C

InChI

InChI=1S/C12H20/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h8,10H,3-7,9H2,1-2H3

InChIKey

VKNXYLFKIOFLJG-UHFFFAOYSA-N

Compound name

4,4-dimethyl-2,3,6,7,8,8a-hexahydro-1H-naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 279
Patents: 164.1565 Da
Monoisotopic Mass: 4.3
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]+	165.163776	138.2
[M+Na]+	187.145718	143.5
[M-H]-	163.149224	141.8
[M+NH4]+	182.190323	161.9
[M+K]+	203.119658	141.2
[M+H-H2O]+	147.153760	132.8
[M+HCOO]-	209.154701	155.9
[M+CH3COO]-	223.170351	180.0
[M+Na-2H]-	185.131166	144.2
[M]+	164.15595142	132.7
[M]-	164.15704858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe