CID 151827

3-dodecyl pyridinium bromide

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

CCCCCCCCCCCCC1=CN=CC=C1

InChI

InChI=1S/C17H29N/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18-16-17/h12,14-16H,2-11,13H2,1H3

InChIKey

BWCPIPANJFTRRK-UHFFFAOYSA-N

Compound name

3-dodecylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 247.23 Da
Monoisotopic Mass: 6.8
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]+	248.23728	164.8
[M+Na]+	270.21922	168.8
[M-H]-	246.22272	165.2
[M+NH4]+	265.26382	180.8
[M+K]+	286.19316	164.8
[M+H-H2O]+	230.22726	156.6
[M+HCOO]-	292.22820	185.4
[M+CH3COO]-	306.24385	198.3
[M+Na-2H]-	268.20467	168.8
[M]+	247.22945	168.1
[M]-	247.23055	168.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe