CID 548992

Cyclodecene, 1,2-dimethyl-, (e)-

Structural Information

Molecular Formula

C₁₂H₂₂

SMILES

CC1=C(CCCCCCCC1)C

InChI

InChI=1S/C12H22/c1-11-9-7-5-3-4-6-8-10-12(11)2/h3-10H2,1-2H3

InChIKey

JZRXFXNEYQUOLU-UHFFFAOYSA-N

Compound name

1,2-dimethylcyclodecene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 166.17215 Da
Monoisotopic Mass: 4.5
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]+	167.179426	137.4
[M+Na]+	189.161368	141.8
[M-H]-	165.164874	137.6
[M+NH4]+	184.205973	155.6
[M+K]+	205.135308	141.1
[M+H-H2O]+	149.169410	135.0
[M+HCOO]-	211.170351	156.3
[M+CH3COO]-	225.186001	176.7
[M+Na-2H]-	187.146816	140.3
[M]+	166.17160142	130.0
[M]-	166.17269858	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe