CID 637538

Cyclododecene

Structural Information

Molecular Formula

C₁₂H₂₂

SMILES

C1CCCCC/C=C\CCCC1

InChI

InChI=1S/C12H22/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H,3-12H2/b2-1-

InChIKey

HYPABJGVBDSCIT-UPHRSURJSA-N

Compound name

cyclododecene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 10941
Patents: 166.17215 Da
Monoisotopic Mass: 5.7
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	138.4
[M+Na]+	189.161368	140.2
[M-H]-	165.164874	138.2
[M+NH4]+	184.205973	155.5
[M+K]+	205.135308	139.7
[M+H-H2O]+	149.169410	135.4
[M+HCOO]-	211.170351	156.4
[M+CH3COO]-	225.186001	172.6
[M+Na-2H]-	187.146816	142.2
[M]+	166.17160142	127.8
[M]-	166.17269858	127.8

Literature stripe

literature stripe

Patent stripe

patents stripe