CID 12431741

1-dodecanol, 2-bromo-

Structural Information

Molecular Formula

C₁₂H₂₅BrO

SMILES

CCCCCCCCCCC(CO)Br

InChI

InChI=1S/C12H25BrO/c1-2-3-4-5-6-7-8-9-10-12(13)11-14/h12,14H,2-11H2,1H3

InChIKey

AAWIVICFKOFENR-UHFFFAOYSA-N

Compound name

2-bromododecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 264.1089 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]+	265.11618	160.2
[M+Na]+	287.09812	160.2
[M+NH4]+	282.14272	163.8
[M+K]+	303.07206	159.3
[M-H]-	263.10162	158.1
[M+Na-2H]-	285.08357	159.3
[M]+	264.10835	158.2
[M]-	264.10945	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe