CID 4116638

3-ethyl-3-dodecanol

Structural Information

Molecular Formula

C₁₄H₃₀O

SMILES

CCCCCCCCCC(CC)(CC)O

InChI

InChI=1S/C14H30O/c1-4-7-8-9-10-11-12-13-14(15,5-2)6-3/h15H,4-13H2,1-3H3

InChIKey

IRFVXTHHHPLIOE-UHFFFAOYSA-N

Compound name

3-ethyldodecan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 214.22966 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]+	215.23694	159.4
[M+Na]+	237.21888	163.4
[M-H]-	213.22238	157.1
[M+NH4]+	232.26348	177.8
[M+K]+	253.19282	161.0
[M+H-H2O]+	197.22692	154.4
[M+HCOO]-	259.22786	177.7
[M+CH3COO]-	273.24351	191.1
[M+Na-2H]-	235.20433	162.3
[M]+	214.22911	162.8
[M]-	214.23021	162.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe