CID 74686

Cyclododecylmethanol

Structural Information

Molecular Formula

C₁₃H₂₆O

SMILES

C1CCCCCC(CCCCC1)CO

InChI

InChI=1S/C13H26O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h13-14H,1-12H2

InChIKey

JQYWAZNRRQRPNN-UHFFFAOYSA-N

Compound name

cyclododecylmethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 277
Patents: 198.19836 Da
Monoisotopic Mass: 5.2
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	148.9
[M+Na]+	221.18758	149.9
[M-H]-	197.19108	147.2
[M+NH4]+	216.23218	164.2
[M+K]+	237.16152	148.8
[M+H-H2O]+	181.19562	146.1
[M+HCOO]-	243.19656	163.8
[M+CH3COO]-	257.21221	176.2
[M+Na-2H]-	219.17303	150.0
[M]+	198.19781	137.2
[M]-	198.19891	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe