CID 18475243

10-ethyl-1-dodecanol

Structural Information

Molecular Formula

C₁₄H₃₀O

SMILES

CCC(CC)CCCCCCCCCO

InChI

InChI=1S/C14H30O/c1-3-14(4-2)12-10-8-6-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3

InChIKey

HRKPLDTVRCQFLV-UHFFFAOYSA-N

Compound name

10-ethyldodecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.22966 Da
Monoisotopic Mass: 6.4
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]+	215.236936	160.0
[M+Na]+	237.218878	163.2
[M-H]-	213.222384	157.4
[M+NH4]+	232.263483	178.2
[M+K]+	253.192818	160.9
[M+H-H2O]+	197.226920	154.4
[M+HCOO]-	259.227861	178.9
[M+CH3COO]-	273.243511	191.5
[M+Na-2H]-	235.204326	160.9
[M]+	214.22911142	163.2
[M]-	214.23020858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe