CID 4329920

1-ethyl-1-cyclododecanol

Structural Information

Molecular Formula

C₁₄H₂₈O

SMILES

CCC1(CCCCCCCCCCC1)O

InChI

InChI=1S/C14H28O/c1-2-14(15)12-10-8-6-4-3-5-7-9-11-13-14/h15H,2-13H2,1H3

InChIKey

LFMXXMJSRXDFMN-UHFFFAOYSA-N

Compound name

1-ethylcyclododecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 212.21402 Da
Monoisotopic Mass: 5.3
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]+	213.22130	153.9
[M+Na]+	235.20324	162.6
[M+NH4]+	230.24784	163.2
[M+K]+	251.17718	153.6
[M-H]-	211.20674	156.4
[M+Na-2H]-	233.18869	159.9
[M]+	212.21347	155.6
[M]-	212.21457	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe