CID 518720

Methylcyclodecane

Structural Information

Molecular Formula

C₁₁H₂₂

SMILES

CC1CCCCCCCCC1

InChI

InChI=1S/C11H22/c1-11-9-7-5-3-2-4-6-8-10-11/h11H,2-10H2,1H3

InChIKey

WFWNFBYXZQJMFM-UHFFFAOYSA-N

Compound name

methylcyclodecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 534
Patents: 154.17215 Da
Monoisotopic Mass: 5.8
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]+	155.179426	135.8
[M+Na]+	177.161368	138.5
[M-H]-	153.164874	135.4
[M+NH4]+	172.205973	153.9
[M+K]+	193.135308	138.3
[M+H-H2O]+	137.169410	133.2
[M+HCOO]-	199.170351	153.5
[M+CH3COO]-	213.186001	173.0
[M+Na-2H]-	175.146816	138.8
[M]+	154.17160142	126.2
[M]-	154.17269858	126.2

Literature stripe

literature stripe

Patent stripe

patents stripe