CID 74163

11-bromo-1-undecanol

Structural Information

Molecular Formula

C₁₁H₂₃BrO

SMILES

C(CCCCCO)CCCCCBr

InChI

InChI=1S/C11H23BrO/c12-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2

InChIKey

XFGANBYCJWQYBI-UHFFFAOYSA-N

Compound name

11-bromoundecan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1644
Patents: 250.09323 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]+	251.10051	156.5
[M+Na]+	273.08245	164.7
[M-H]-	249.08595	157.2
[M+NH4]+	268.12705	176.8
[M+K]+	289.05639	152.9
[M+H-H2O]+	233.09049	156.4
[M+HCOO]-	295.09143	174.9
[M+CH3COO]-	309.10708	191.6
[M+Na-2H]-	271.06790	161.3
[M]+	250.09268	177.3
[M]-	250.09378	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe