CID 90375

1,4-diisopropylnaphthalene

Structural Information

Molecular Formula

C₁₆H₂₀

SMILES

CC(C)C1=CC=C(C2=CC=CC=C21)C(C)C

InChI

InChI=1S/C16H20/c1-11(2)13-9-10-14(12(3)4)16-8-6-5-7-15(13)16/h5-12H,1-4H3

InChIKey

BDJUQNIAPKYGNU-UHFFFAOYSA-N

Compound name

1,4-di(propan-2-yl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 106
Patents: 212.1565 Da
Monoisotopic Mass: 5.9
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]+	213.16378	149.8
[M+Na]+	235.14572	164.5
[M+NH4]+	230.19032	160.1
[M+K]+	251.11966	156.2
[M-H]-	211.14922	154.0
[M+Na-2H]-	233.13117	157.3
[M]+	212.15595	153.4
[M]-	212.15705	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe