CID 76334

Cyclododecane, methoxy-

Structural Information

Molecular Formula

C₁₃H₂₆O

SMILES

COC1CCCCCCCCCCC1

InChI

InChI=1S/C13H26O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2,1H3

InChIKey

WDSOYUINLRIGNV-UHFFFAOYSA-N

Compound name

methoxycyclododecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1306
Patents: 198.19836 Da
Monoisotopic Mass: 4.3
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]+	199.20564	148.0
[M+Na]+	221.18758	149.3
[M-H]-	197.19108	147.6
[M+NH4]+	216.23218	164.0
[M+K]+	237.16152	149.2
[M+H-H2O]+	181.19562	144.9
[M+HCOO]-	243.19656	164.3
[M+CH3COO]-	257.21221	178.8
[M+Na-2H]-	219.17303	149.5
[M]+	198.19781	138.1
[M]-	198.19891	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe