CID 90390

1,8-diisopropylnaphthalene

Structural Information

Molecular Formula

C₁₆H₂₀

SMILES

CC(C)C1=CC=CC2=C1C(=CC=C2)C(C)C

InChI

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

InChIKey

MXPFNCSRRZDGMJ-UHFFFAOYSA-N

Compound name

1,8-di(propan-2-yl)naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 212.1565 Da
Monoisotopic Mass: 5.4
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

No literature data available for this compound.

Patent stripe

patents stripe