CID 204985

M-dibutylbenzene

Structural Information

Molecular Formula

C₁₄H₂₂

SMILES

CCCCC1=CC(=CC=C1)CCCC

InChI

InChI=1S/C14H22/c1-3-5-8-13-10-7-11-14(12-13)9-6-4-2/h7,10-12H,3-6,8-9H2,1-2H3

InChIKey

BLZIWBDUMUJHOE-UHFFFAOYSA-N

Compound name

1,3-dibutylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 758
Patents: 190.17215 Da
Monoisotopic Mass: 6.3
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]+	191.17943	146.3
[M+Na]+	213.16137	159.8
[M+NH4]+	208.20597	155.9
[M+K]+	229.13531	150.7
[M-H]-	189.16487	149.8
[M+Na-2H]-	211.14682	153.8
[M]+	190.17160	149.4
[M]-	190.17270	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe