CID 2757182

14-bromo-1-tetradecanol

Structural Information

Molecular Formula

C₁₄H₂₉BrO

SMILES

C(CCCCCCCBr)CCCCCCO

InChI

InChI=1S/C14H29BrO/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h16H,1-14H2

InChIKey

VKXZRJZWAYBBAE-UHFFFAOYSA-N

Compound name

14-bromotetradecan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 128
Patents: 292.14017 Da
Monoisotopic Mass: 6.1
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]+	293.14745	170.0
[M+Na]+	315.12939	177.0
[M-H]-	291.13289	170.1
[M+NH4]+	310.17399	188.7
[M+K]+	331.10333	164.4
[M+H-H2O]+	275.13743	169.2
[M+HCOO]-	337.13837	187.4
[M+CH3COO]-	351.15402	200.0
[M+Na-2H]-	313.11484	173.1
[M]+	292.13962	191.8
[M]-	292.14072	191.8

Literature stripe

literature stripe

Patent stripe

patents stripe