CID 102215

Dodecahydroacenaphthylene

Structural Information

Molecular Formula

C₁₂H₂₀

SMILES

C1CC2CCCC3C2C(C1)CC3

InChI

InChI=1S/C12H20/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h9-12H,1-8H2

InChIKey

FZDZWLDRELLWNN-UHFFFAOYSA-N

Compound name

1,2,3,3a,4,5,5a,6,7,8,8a,8b-dodecahydroacenaphthylene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1966
Patents: 164.1565 Da
Monoisotopic Mass: 4.9
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]+	165.163776	138.6
[M+Na]+	187.145718	142.1
[M-H]-	163.149224	141.4
[M+NH4]+	182.190323	162.9
[M+K]+	203.119658	139.1
[M+H-H2O]+	147.153760	132.9
[M+HCOO]-	209.154701	153.9
[M+CH3COO]-	223.170351	150.1
[M+Na-2H]-	185.131166	142.1
[M]+	164.15595142	131.1
[M]-	164.15704858	131.1

Literature stripe

literature stripe

Patent stripe

patents stripe