CID 33865

Isotridecanol

Structural Information

Molecular Formula

C₁₃H₂₈O

SMILES

CC(C)CCCCCCCCCCO

InChI

InChI=1S/C13H28O/c1-13(2)11-9-7-5-3-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3

InChIKey

XUJLWPFSUCHPQL-UHFFFAOYSA-N

Compound name

11-methyldodecan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 30645
Patents: 200.21402 Da
Monoisotopic Mass: 5.4
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]+	201.22130	152.9
[M+Na]+	223.20324	161.7
[M+NH4]+	218.24784	160.1
[M+K]+	239.17718	154.7
[M-H]-	199.20674	152.1
[M+Na-2H]-	221.18869	154.8
[M]+	200.21347	153.7
[M]-	200.21457	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe