CID 1636619

13-bromo-1-tridecanol

Structural Information

Molecular Formula

C₁₃H₂₇BrO

SMILES

C(CCCCCCO)CCCCCCBr

InChI

InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2

InChIKey

FJBCXJNCEVECEC-UHFFFAOYSA-N

Compound name

13-bromotridecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 65
Patents: 278.12454 Da
Monoisotopic Mass: 5.5
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]+	279.13182	165.5
[M+Na]+	301.11376	172.9
[M-H]-	277.11726	165.8
[M+NH4]+	296.15836	184.8
[M+K]+	317.08770	160.6
[M+H-H2O]+	261.12180	165.0
[M+HCOO]-	323.12274	183.2
[M+CH3COO]-	337.13839	197.2
[M+Na-2H]-	299.09921	169.2
[M]+	278.12399	187.0
[M]-	278.12509	187.0

Literature stripe

literature stripe

Patent stripe

patents stripe