CID 11769398

Ethylidenecyclododecane

Structural Information

Molecular Formula

C₁₄H₂₆

SMILES

CC=C1CCCCCCCCCCC1

InChI

InChI=1S/C14H26/c1-2-14-12-10-8-6-4-3-5-7-9-11-13-14/h2H,3-13H2,1H3

InChIKey

ZTDBJZBOSYHFHW-UHFFFAOYSA-N

Compound name

ethylidenecyclododecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.20345 Da
Monoisotopic Mass: 6.1
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]+	195.210726	148.1
[M+Na]+	217.192668	149.5
[M-H]-	193.196174	147.7
[M+NH4]+	212.237273	164.3
[M+K]+	233.166608	148.0
[M+H-H2O]+	177.200710	145.1
[M+HCOO]-	239.201651	164.2
[M+CH3COO]-	253.217301	178.4
[M+Na-2H]-	215.178116	149.1
[M]+	194.20290142	136.4
[M]-	194.20399858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe