CID 104507

10-bromo-1-decanol

Structural Information

Molecular Formula

C₁₀H₂₁BrO

SMILES

C(CCCCCBr)CCCCO

InChI

InChI=1S/C10H21BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h12H,1-10H2

InChIKey

LGZMUUBPTDRQQM-UHFFFAOYSA-N

Compound name

10-bromodecan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 826
Patents: 236.07758 Da
Monoisotopic Mass: 4.4
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]+	237.08486	152.0
[M+Na]+	259.06680	160.6
[M-H]-	235.07030	152.8
[M+NH4]+	254.11140	172.8
[M+K]+	275.04074	149.0
[M+H-H2O]+	219.07484	152.0
[M+HCOO]-	281.07578	170.7
[M+CH3COO]-	295.09143	188.8
[M+Na-2H]-	257.05225	157.3
[M]+	236.07703	172.4
[M]-	236.07813	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe